data_2ksc_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 2ksc _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 ' 21' ' ' PHE . . . . . . . . . . . . . 47.9 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.822 0.344 . . . . 1.24 110.527 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -48.56 -52.79 21.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 1.05 110.603 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.49 -35.19 50.63 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.933 -0.867 . . . . 0.66 110.933 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -74.32 -43.69 55.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 2.84 110.573 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.5 t -60.38 -26.05 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.38 110.59 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.3 tp -69.69 -43.49 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 2.24 110.277 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.96 -38.37 70.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 1.26 110.569 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -77.88 88.44 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.69 110.55 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -71.18 -1.35 12.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 2.55 110.595 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -73.41 -54.42 8.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 2.66 110.608 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.6 m -72.62 -23.2 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 1.14 110.556 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -60.52 -29.09 68.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.52 110.565 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -51.93 -29.63 21.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 3.63 110.645 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.418 ' C ' ' H ' ' A' ' 36' ' ' VAL . 76.6 m-85 -82.28 -35.28 28.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 1.34 110.634 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -79.7 25.61 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.64 110.723 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.418 ' H ' ' C ' ' A' ' 34' ' ' PHE . 89.9 t -79.07 -40.17 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 2.03 110.464 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -74.43 -40.07 62.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.25 110.566 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.4 m -79.92 145.3 32.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.22 110.577 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.2 p30 -77.97 168.51 19.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.77 110.539 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.6 mtt -69.4 -24.01 63.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 2.52 110.602 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.21 -59.01 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 1.32 110.536 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -67.44 -23.6 65.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 2.89 110.581 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.523 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.7 tt0 -56.71 -58.3 8.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.59 110.552 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -46.52 -45.62 18.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 2.4 110.59 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -49.98 -33.32 17.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 1.71 110.572 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -66.2 -51.89 53.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.43 110.564 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 4.1 mp0 -59.35 -23.51 62.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.87 110.506 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -76.14 -58.0 3.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 2.58 110.629 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -63.67 -26.13 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.45 110.563 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -76.12 -54.54 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 1.23 110.55 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.8 ttt -58.24 -21.14 47.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 1.72 110.615 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 54' ' ' ALA . 22.3 m -77.98 -56.92 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 1.22 110.578 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.451 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 53.5 t80 -49.88 -17.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 1.24 110.554 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.414 ' C ' ' H ' ' A' ' 56' ' ' GLY . . . -64.43 -43.8 93.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 1.17 110.601 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -77.55 14.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 2.21 110.586 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 54' ' ' ALA . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.928 -0.869 . . . . 0.67 110.928 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.4 mmt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.789 0.328 . . . . 1.3 110.557 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' GLN . 87.7 mtt180 -62.8 -58.89 5.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 2.24 110.617 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.33 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 1.33 110.572 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.47 -47.78 69.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 1.09 110.595 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -78.16 -20.95 50.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.43 110.626 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 67' ' ' ARG . 54.9 tt0 -61.95 -41.5 98.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 1.93 110.606 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -52.94 -23.96 8.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.65 110.588 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.3 mt -76.98 -59.02 2.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 1.17 110.605 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.6 t -50.85 -17.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 1.22 110.65 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -78.11 -52.24 9.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 2.03 110.618 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -89.85 -60.28 1.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.293 -0.412 . . . . 1.02 110.628 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.98 138.82 33.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 1.21 110.667 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -81.2 64.85 4.09 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.91 -0.876 . . . . 0.63 110.91 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.72 149.28 31.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 1.41 110.447 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.521 ' OG1' ' ND1' ' A' ' 83' ' ' HIS . 77.2 p -144.38 -171.98 3.7 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.209 -0.45 . . . . 1.55 110.482 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 83' ' ' HIS . 1.7 m-20 -78.0 -54.54 6.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 1.24 110.693 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.7 p -44.99 -17.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 1.52 110.663 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.521 ' ND1' ' OG1' ' A' ' 80' ' ' THR . 31.1 m170 -78.05 -41.13 36.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.8 110.574 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' ASP . 36.7 t80 -66.83 -37.68 84.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.69 110.574 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.97 -27.93 67.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.92 110.566 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.17 -64.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 1.17 110.584 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.5 tt -58.55 -33.09 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 1.16 110.592 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.77 94.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 1.1 110.549 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -64.35 -50.99 65.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 2.09 110.539 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -44.7 -43.07 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.44 110.744 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.6 tp -57.46 -46.4 83.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 1.14 110.336 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.41 -44.08 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 1.11 110.776 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.94 -20.89 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 1.24 110.75 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 m -71.9 -46.29 58.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.358 -0.383 . . . . 1.16 110.599 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.7 mt -68.69 -22.91 64.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 1.14 110.569 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -73.23 -25.47 60.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 2.59 110.463 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -76.22 -31.51 58.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.88 110.582 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.3 mt -77.96 3.63 14.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 1.45 110.514 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.6 t30 61.32 56.16 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 1.32 111.024 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 81.1 t -109.46 132.15 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.361 -0.381 . . . . 1.44 110.296 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 t -45.58 160.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 1.32 110.66 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -77.1 -45.59 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 1.79 110.711 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -44.93 -40.91 6.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 1.05 110.709 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 20.6 mt -73.04 -37.83 66.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 1.53 110.611 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.96 -21.96 21.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 1.34 110.438 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -69.5 -43.7 72.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.72 110.479 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.38 -38.03 88.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 2.21 110.536 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.61 -46.74 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 1.24 110.515 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 113' ' ' GLY . 88.0 t -54.99 -37.91 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 1.2 110.548 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.9 m -59.03 -53.73 55.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 1.31 110.618 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.2 mt -47.88 -59.01 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 1.18 110.598 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.7 m -73.54 -12.06 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 1.18 110.624 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -78.93 11.07 29.84 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.907 -0.877 . . . . 0.9 110.907 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.2 m -60.32 138.4 57.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 1.08 110.566 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.0 t -76.12 -30.9 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 1.43 110.546 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -65.55 -61.0 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 2.27 110.567 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -46.79 -40.68 14.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.45 110.535 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -68.24 -43.87 76.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 2.69 110.526 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -62.4 -27.74 69.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.75 110.575 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -68.28 -38.57 81.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.53 110.609 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.41 -49.99 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 1.38 110.585 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.3 mt -72.54 -14.13 61.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 1.57 110.503 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 54.19 95.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.9 110.591 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.967 -1.016 . . . . 5.04 110.434 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.6 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.751 0.31 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -57.92 -43.23 86.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.23 -44.52 94.91 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.566 ' HZ2' ' CD ' ' A' ' 97' ' ' GLU . 0.1 OUTLIER -65.07 -39.89 93.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.913 0.387 . . . . 0.0 110.623 179.764 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.49 -44.8 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.245 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -70.7 -30.22 66.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.591 -179.708 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.71 -35.69 73.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.69 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -87.16 113.16 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.367 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.73 -20.98 59.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.001 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -57.13 -41.14 78.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.227 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 m -82.11 -28.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.656 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -56.94 -29.82 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.964 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -53.11 -39.28 63.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.498 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -71.94 -30.63 65.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -87.05 8.27 24.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.32 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.4 t -57.13 -40.8 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.363 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -87.2 5.39 38.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.53 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.5 m -120.99 140.28 52.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.562 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 39' ' ' ASP . 53.0 p30 -79.97 163.24 24.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.785 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -34.33 74.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.8 -57.91 10.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.653 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -62.45 -34.4 76.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.605 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.49 ' O ' ' OE1' ' A' ' 47' ' ' GLN . 7.4 tt0 -55.33 -42.96 74.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -61.86 -37.72 85.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 0.0 110.801 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -59.88 -43.22 94.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.932 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -64.07 -42.24 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.823 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.609 ' N ' ' OE1' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -59.23 -37.74 78.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.717 -179.84 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.78 -46.83 88.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.827 0.346 . . . . 0.0 110.486 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -66.52 -38.79 87.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -60.46 -50.41 73.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.7 ttt -64.9 -38.58 91.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.4 m -59.03 -43.38 91.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -60.97 -40.36 93.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.595 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.08 80.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.717 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -77.23 -4.16 43.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.654 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.726 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.85 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.726 0.298 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -57.21 -40.67 77.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.661 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.44 -38.56 81.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.782 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.03 86.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.98 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -93.2 -9.51 39.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.981 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -57.78 -38.28 75.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.787 0.327 . . . . 0.0 110.621 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -57.17 -39.81 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.697 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.474 ' O ' ' O ' ' A' ' 77' ' ' ALA . 75.2 mt -62.51 -39.97 95.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.509 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.4 t -67.04 -42.37 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -64.09 -35.63 81.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.178 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -88.65 -62.28 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.092 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.75 146.89 35.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.802 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.53 113.4 3.81 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 tp -99.35 129.51 45.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.596 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 74.6 p -125.23 168.04 14.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.807 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.588 ' OD2' ' NH2' ' A' ' 118' ' ' ARG . 94.1 m-20 -55.49 -37.7 68.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.705 -179.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 3.4 p -54.58 -39.24 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.594 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.445 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 50.9 m80 -60.25 -44.12 95.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.388 . . . . 0.0 110.451 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -59.9 -44.88 94.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.358 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -64.58 -33.42 75.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.6 -60.09 3.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.401 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.2 tt -63.51 -27.83 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.545 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.54 -42.61 95.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.624 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.75 -34.69 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.631 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -55.52 -39.4 70.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.422 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.9 tp -64.64 -39.91 94.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.526 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.64 -45.24 95.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.678 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.0 mt -64.79 -34.99 79.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.8 m -57.96 -43.22 86.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.623 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.44 -36.06 82.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.538 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.57 -38.09 83.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.696 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.566 ' CD ' ' HZ2' ' A' ' 24' ' ' LYS . 96.6 mt-10 -64.64 -30.7 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.0 mt -81.47 3.27 25.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.581 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 62.24 49.58 4.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.551 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.3 t -105.16 138.59 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.8 t -56.15 140.38 44.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.696 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -58.92 -35.97 73.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.114 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -54.82 -42.7 72.22 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.678 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.5 -36.55 83.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.311 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 79.6 mt -60.89 -40.51 85.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.608 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -58.15 -39.27 78.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -60.58 -39.23 87.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.1 t -66.68 -39.48 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.619 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.8 t -60.58 -40.79 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.74 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.4 m -59.81 -39.53 85.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.954 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.34 -50.4 76.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.915 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 114' ' ' SER . 29.4 m -77.14 -28.15 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 0.0 110.554 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.4 69.91 0.04 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 112' ' ' VAL . 48.7 m -117.45 139.09 51.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.851 0.358 . . . . 0.0 110.453 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 77.2 t -69.45 -41.49 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.183 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.81 -44.65 90.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.246 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -65.43 -46.17 80.99 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.49 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.588 ' NH2' ' OD2' ' A' ' 81' ' ' ASP . 79.6 ttt-85 -59.09 -41.85 89.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.663 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -60.49 -38.43 84.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -60.86 -36.75 79.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.594 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 94.3 t -60.53 -42.87 93.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.75 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 79.0 mt -90.51 -0.36 57.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.72 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 58.5 43.28 19.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.494 179.766 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.9 t80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.811 0.339 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -56.73 -41.08 76.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.668 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.27 -43.07 93.75 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.524 ' NZ ' ' OE2' ' A' ' 97' ' ' GLU . 3.9 mptp? -62.37 -37.47 85.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.711 0.291 . . . . 0.0 110.522 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.81 -40.66 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.679 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -38.78 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.314 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.02 94.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.362 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -87.77 97.37 10.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.632 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -74.31 -24.9 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.785 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -52.53 -39.79 61.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.788 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.3 m -78.78 -31.16 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 110.62 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -56.71 -30.13 63.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.666 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -53.31 -36.74 61.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.573 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -77.8 -18.35 56.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -97.74 13.08 31.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.037 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.3 m -63.91 -35.72 74.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.721 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -89.08 4.63 47.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.741 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.0 m -124.81 141.83 51.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.598 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 54.5 p30 -81.57 163.18 22.8 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.519 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.4 mtt -62.0 -34.94 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.85 -58.85 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.677 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -62.8 -33.87 76.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.444 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.593 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.4 tt0 -55.44 -40.19 71.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.535 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -59.03 -36.19 74.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.724 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -59.09 -40.53 85.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -60.57 -45.66 93.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.597 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.593 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 1.7 mp0 -61.19 -37.11 81.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.001 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -60.82 -53.03 62.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.363 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -66.26 -39.24 89.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.532 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -59.6 -47.78 84.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.671 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.7 tpt -62.45 -40.82 97.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.663 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.0 m -62.64 -42.05 99.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.641 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -61.02 -36.22 78.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.572 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.93 -30.9 64.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.551 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -90.64 5.91 46.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.667 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 32.3 mmt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.81 0.338 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' GLN . 98.5 mtt180 -59.75 -40.37 87.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.764 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.65 84.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.53 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.61 -33.66 76.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.46 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -98.11 -14.3 20.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.748 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.509 ' O ' ' OE1' ' A' ' 75' ' ' GLU . 63.5 tt0 -58.63 -40.04 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.825 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -56.21 -39.54 72.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.642 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 77' ' ' ALA . 87.7 mt -63.18 -36.38 83.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.18 -49.48 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.891 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' A' ' 71' ' ' GLN . 15.9 mp0 -68.77 -36.75 78.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.915 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -78.82 -61.16 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.635 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.501 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -111.69 161.88 15.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.758 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.45 115.08 4.54 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.6 tp -98.57 131.59 44.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.603 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.585 ' OG1' ' CE1' ' A' ' 83' ' ' HIS . 33.3 p -122.85 161.52 23.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.735 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -59.35 -37.3 77.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.979 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 2.3 p -55.95 -36.83 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.585 ' CE1' ' OG1' ' A' ' 80' ' ' THR . 38.7 m80 -57.29 -44.61 84.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.838 0.351 . . . . 0.0 110.716 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -61.47 -47.27 86.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.404 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -63.9 -33.48 75.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.1 -62.87 1.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -61.94 -30.87 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.46 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.74 90.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.03 -37.8 86.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -58.72 -37.63 76.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.661 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.5 tp -60.6 -39.94 89.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.509 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.74 -43.27 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.695 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.73 -36.21 82.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.703 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.5 m -58.77 -42.01 87.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.559 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.85 -35.6 81.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.594 ' NE2' ' CD1' ' A' ' 105' ' ' ILE . 99.5 mm-40 -59.64 -37.99 80.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.583 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.524 ' OE2' ' NZ ' ' A' ' 24' ' ' LYS . 96.9 mt-10 -64.78 -32.8 74.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.597 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 81.9 mt -77.29 -3.9 42.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.621 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 61.54 49.98 4.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.561 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.4 t -99.4 139.6 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.5 t -55.18 139.93 40.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.658 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -58.89 -35.35 72.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.41 -43.83 75.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.631 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.26 -37.67 80.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.355 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.594 ' CD1' ' NE2' ' A' ' 96' ' ' GLN . 84.3 mt -61.75 -38.92 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.621 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -58.31 -39.93 80.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.428 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.74 -38.28 87.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.511 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.6 t -64.1 -39.69 86.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.598 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 113' ' ' GLY . 79.0 t -60.54 -41.05 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.483 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.7 m -61.07 -43.34 99.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.63 -52.28 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.845 0.355 . . . . 0.0 111.025 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.552 ' C ' ' H ' ' A' ' 114' ' ' SER . 20.1 m -77.57 -22.34 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.423 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -63.46 5.54 0.7 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.552 ' H ' ' C ' ' A' ' 112' ' ' VAL . 50.9 m -57.28 126.07 25.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 110.465 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 71.3 t -69.14 -38.73 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.791 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -56.12 -44.49 79.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.708 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -66.06 -43.47 87.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -57.41 -43.52 83.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.535 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -64.01 -37.58 87.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.711 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.5 m-20 -59.4 -39.14 82.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.9 t -62.8 -42.26 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.605 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 22.1 mt -86.61 -7.66 58.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.579 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 56.7 m-20 59.92 45.16 12.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.699 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.923 -1.036 . . . . 0.0 110.574 179.863 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.8 t80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.955 0.407 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -59.81 -43.12 94.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.726 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.26 -42.09 97.12 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -61.3 -42.06 98.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.367 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.28 -40.81 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.537 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 tp -58.75 -36.57 74.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.389 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.8 88.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -87.15 102.66 14.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.927 0.394 . . . . 0.0 110.659 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -73.13 -25.5 60.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -53.98 -41.63 68.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.701 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.4 m -79.67 -29.12 13.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.837 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -57.77 -31.1 66.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -54.22 -40.09 67.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.876 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -69.52 -33.85 73.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.074 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.486 ' O ' ' O ' ' A' ' 38' ' ' THR . 90.6 m-85 -80.75 3.46 22.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.3 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.1 t -56.9 -43.92 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.286 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -60.07 -33.65 72.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.467 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.486 ' O ' ' O ' ' A' ' 35' ' ' PHE . 33.0 m -96.93 142.61 28.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.671 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 48.5 p30 -71.2 157.36 38.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.431 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.1 mtp -60.76 -35.02 75.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.242 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.25 -58.7 7.23 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.954 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.44 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -61.07 -34.63 75.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.385 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.586 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.3 tt0 -53.68 -39.14 64.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.975 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -57.64 -38.26 74.73 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.52 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.42 -39.17 89.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -59.87 -47.49 85.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.874 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 1.2 mp0 -60.68 -39.3 87.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.526 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -62.33 -47.15 85.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 110.327 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -64.91 -38.56 91.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.569 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -58.26 -45.36 87.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.733 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.3 ttt -61.9 -40.42 95.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.7 m -59.35 -40.43 86.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.901 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.2 -38.22 82.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.705 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.89 -32.07 71.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.009 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -88.31 10.22 20.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.949 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.806 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 mmt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.824 0.345 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -57.46 -37.55 73.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.677 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.2 79.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.689 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.61 87.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.699 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -94.06 -16.12 24.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.739 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -58.05 -39.01 77.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.534 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -59.2 -38.94 81.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.694 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 77' ' ' ALA . 98.0 mt -60.14 -38.97 84.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.711 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.02 -42.73 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.804 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.64 -36.25 83.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.826 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -90.3 -60.89 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.018 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . -110.16 148.54 31.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.968 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.69 105.95 3.22 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.6 tp -102.61 134.03 46.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.558 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.4 p -120.42 163.38 17.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.588 ' OD2' ' NH2' ' A' ' 118' ' ' ARG . 96.6 m-20 -57.67 -36.62 72.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.982 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 2.9 p -52.99 -37.73 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.826 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.41 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 76.5 m80 -57.79 -41.83 82.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.481 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -58.71 -44.58 90.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.437 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -62.75 -35.73 80.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.823 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.73 -58.76 5.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.337 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.8 tt -62.39 -30.06 48.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.676 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.56 -39.76 94.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.441 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.6 -36.56 81.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.533 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -58.29 -38.26 76.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.91 -39.46 89.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.512 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.54 -42.96 97.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.688 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.1 mt -63.6 -36.35 83.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.773 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.6 m -58.91 -42.07 88.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.737 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.89 -35.51 80.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.597 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -59.7 -36.19 76.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.493 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.8 -31.23 72.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.54 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.9 mt -82.16 1.35 36.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.665 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 61.35 50.31 4.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.924 0.393 . . . . 0.0 110.543 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.5 t -103.01 138.86 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.449 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.2 t -55.07 140.67 37.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.752 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.0 -36.75 75.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.119 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -55.77 -43.11 76.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.825 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.83 -36.97 83.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.31 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.7 -40.0 83.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.582 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.16 -39.78 79.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.549 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.93 -37.07 83.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.339 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.69 -39.42 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.631 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 113' ' ' GLY . 70.1 t -59.61 -41.52 85.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.708 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.6 m -60.48 -41.39 94.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.5 mt -59.37 -50.87 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.923 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.6 m -80.6 -22.55 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.646 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -79.57 78.28 1.78 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.5 m -120.53 141.04 50.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 110.372 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.461 ' CG1' HD22 ' A' ' 119' ' ' ASN . 69.4 t -67.39 -42.16 87.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.008 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -59.57 -44.41 93.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -64.8 -46.96 79.83 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.461 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.588 ' NH2' ' OD2' ' A' ' 81' ' ' ASP . 78.0 ttt-85 -60.48 -43.46 96.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.391 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.461 HD22 ' CG1' ' A' ' 115' ' ' VAL . 86.0 m-20 -62.86 -36.07 82.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.75 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.488 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 91.4 m-20 -58.48 -38.9 78.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.4 t -61.72 -43.65 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.373 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 98.7 mt -65.27 -29.57 70.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.806 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.488 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 78.5 m-20 60.79 44.14 11.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.331 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.544 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.9 t80 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.898 0.38 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -57.59 -41.47 81.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.752 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.0 -42.29 86.62 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -62.06 -39.87 93.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.404 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.27 -40.45 86.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.604 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.3 tp -57.83 -37.83 74.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.633 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.84 93.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.723 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -90.43 101.8 14.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.964 0.411 . . . . 0.0 110.769 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.68 -27.4 61.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.102 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -54.65 -41.16 69.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.651 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.2 m -78.05 -31.39 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.19 -33.2 69.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -55.88 -39.62 71.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.088 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -69.0 -31.7 70.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.347 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.506 ' O ' ' O ' ' A' ' 38' ' ' THR . 89.0 m-85 -85.42 6.98 24.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.368 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.47 -43.12 82.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.435 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -60.22 -33.58 72.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.506 ' O ' ' O ' ' A' ' 35' ' ' PHE . 49.0 m -99.75 141.89 31.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.858 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.442 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.3 p30 -76.87 167.48 21.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.561 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.2 mtt -61.32 -34.69 75.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.285 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.48 -58.98 6.15 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.044 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -62.58 -31.93 72.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.657 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.579 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.3 tt0 -55.41 -40.96 72.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.709 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -60.08 -38.48 83.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.653 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -59.65 -38.43 81.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.655 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -59.41 -45.59 91.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.795 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.579 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -61.33 -39.22 89.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.694 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -61.17 -49.08 78.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 110.117 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -68.14 -38.07 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.586 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -60.4 -49.08 79.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.052 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 57.4 ttm -62.83 -40.3 97.01 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.701 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.6 m -60.7 -42.39 97.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -62.0 -41.88 98.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.527 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.6 72.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.702 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -75.77 10.11 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.681 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.2 mmt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.868 0.366 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.536 ' NH1' ' O ' ' A' ' 124' ' ' ARG . 95.2 mtt180 -60.46 -38.24 83.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.963 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.0 77.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.858 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.42 -36.16 82.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.76 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -100.02 -11.87 20.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.11 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' ARG . 50.1 tt0 -58.03 -40.69 81.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 110.708 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.56 -38.6 85.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.665 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' A' ' 77' ' ' ALA . 67.7 mt -60.72 -39.88 90.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.779 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.73 -41.58 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.23 -35.86 81.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -91.31 -61.38 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.944 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.31 148.55 31.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.867 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.36 108.78 3.46 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.8 tp -102.46 133.17 47.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 0.0 110.67 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.401 ' HG1' ' CE1' ' A' ' 83' ' ' HIS . 69.8 p -121.29 165.42 15.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.702 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -56.89 -37.0 70.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.016 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 3.5 p -52.76 -38.13 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.908 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.411 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 78.4 m80 -58.38 -41.08 84.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.451 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -58.46 -42.86 88.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.515 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.95 -36.75 77.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.76 -59.6 3.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.078 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.4 tt -62.49 -29.99 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.62 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.72 -39.13 93.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.487 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -61.53 -37.58 84.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.468 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.7 -37.56 76.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.558 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.6 tp -60.23 -40.39 90.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.436 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.6 t -63.87 -42.5 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.803 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 75.5 mt -62.24 -36.9 83.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.722 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.9 m -59.71 -41.88 91.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.19 -35.18 79.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.613 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.461 ' NE2' ' CD1' ' A' ' 105' ' ' ILE . 99.6 mm-40 -59.16 -37.35 77.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.894 0.378 . . . . 0.0 110.48 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.35 -31.62 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.553 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 59.4 mt -81.6 -0.81 44.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.664 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 61.15 50.93 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.57 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.1 t -101.78 138.68 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.421 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.6 t -57.29 142.48 43.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.721 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -59.59 -37.04 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.187 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -55.93 -42.93 76.87 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.951 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.31 -36.46 83.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.445 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.461 ' CD1' ' NE2' ' A' ' 96' ' ' GLN . 83.0 mt -60.14 -40.42 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.61 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.16 -40.26 80.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.47 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.09 -36.03 83.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.371 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.34 -39.78 86.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.652 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.584 ' O ' ' N ' ' A' ' 113' ' ' GLY . 75.4 t -60.64 -40.45 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.81 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.5 m -58.91 -41.36 87.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 89.6 mt -58.7 -50.59 78.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.869 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.6 m -84.36 -19.43 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.648 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -76.57 12.57 10.14 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.4 m -59.06 143.7 47.69 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.37 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 69.1 t -67.18 -40.95 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -58.48 -43.47 88.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.19 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -63.29 -45.34 91.88 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.517 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -59.28 -43.16 92.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.408 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -61.95 -36.49 81.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.745 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.489 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.8 m-20 -59.51 -37.61 78.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.815 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.86 -43.9 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.346 . . . . 0.0 110.422 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.5 mt -73.35 -18.99 61.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.489 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 86.4 m-20 59.94 44.25 13.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.934 0.397 . . . . 0.0 110.576 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.536 ' O ' ' NH1' ' A' ' 67' ' ' ARG . 61.5 mtp85 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.555 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.3 t80 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.871 0.367 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -58.86 -43.01 90.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.896 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.46 -44.13 95.5 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -62.19 -40.86 97.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.832 0.348 . . . . 0.0 110.411 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.0 t -63.2 -41.37 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.731 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.8 tp -58.29 -37.27 74.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.5 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.22 -35.37 78.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -83.59 99.88 10.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.951 0.405 . . . . 0.0 110.755 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.21 -27.25 61.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.052 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 -54.99 -41.5 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.567 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.7 m -78.88 -30.46 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -57.7 -32.06 67.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -54.4 -39.67 67.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.192 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -67.64 -31.42 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.291 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -84.19 7.32 19.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.199 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.52 -39.73 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.483 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -84.57 4.7 30.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.6 m -120.92 141.75 50.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.379 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 23.2 p-10 -77.06 163.19 26.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.019 0.437 . . . . 0.0 111.015 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 98.7 mmm -61.46 -34.9 76.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.319 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.32 -56.64 14.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.464 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.434 ' CG ' ' OD1' ' A' ' 39' ' ' ASP . 62.1 mmtt -61.43 -34.56 75.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.982 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.592 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.2 tt0 -55.39 -44.08 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.791 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -61.69 -37.07 82.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.625 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.61 -40.25 91.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -59.69 -44.62 93.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.619 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.592 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -60.56 -36.7 79.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.73 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -59.57 -48.61 80.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.185 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -66.93 -39.64 87.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.45 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.01 -46.05 90.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.889 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.7 tpt -61.63 -39.74 92.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.7 m -60.21 -40.11 88.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.781 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -59.85 -37.8 80.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.713 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.02 -31.1 69.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -92.39 13.32 19.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.791 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.809 0.337 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.3 -37.05 81.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.485 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.55 -34.9 79.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.5 -37.91 87.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.842 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -93.61 -15.84 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.755 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -58.67 -39.01 79.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.752 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -58.47 -39.85 81.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.749 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.484 ' O ' ' O ' ' A' ' 77' ' ' ALA . 73.9 mt -62.67 -38.6 90.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.737 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.3 -42.28 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.68 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -64.17 -36.11 82.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -89.28 -61.37 1.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.484 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.28 148.99 30.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.27 101.98 2.66 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.569 -1.013 . . . . 0.0 110.569 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.6 tp -103.19 133.07 48.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 110.44 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.0 p -122.09 167.7 12.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.666 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.611 ' CB ' HH21 ' A' ' 118' ' ' ARG . 95.7 m-20 -53.63 -34.34 58.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.544 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 3.7 p -49.07 -38.25 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.677 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.422 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 77.5 m80 -58.24 -43.92 88.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.883 0.373 . . . . 0.0 110.291 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -60.2 -44.43 95.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.386 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.49 -36.85 79.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.782 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.18 -59.46 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -62.97 -32.56 56.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.569 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.95 -41.7 86.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.433 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.06 -36.67 82.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.454 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -57.44 -38.5 74.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.518 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.27 -40.03 92.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.22 -44.11 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.746 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.8 mt -63.41 -34.91 78.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.721 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.8 m -57.42 -41.59 80.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.681 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.93 -36.63 84.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.559 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.45 -36.92 79.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.446 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.98 -32.48 73.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.287 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 84.4 mt -79.48 -2.57 42.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.532 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.2 t30 61.04 49.68 5.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.163 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.3 t -100.63 139.7 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.457 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.8 t -52.11 139.62 22.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.608 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -59.08 -35.97 74.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.092 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -54.94 -42.73 72.66 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.763 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.82 -37.52 84.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 110.243 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 79.7 mt -62.19 -38.61 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.615 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -57.97 -39.87 79.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.571 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.67 -37.84 85.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.28 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.12 -39.13 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.547 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.09 -40.76 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.83 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 48.5 m -59.95 -41.33 91.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.052 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 93.1 mt -57.44 -49.31 80.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.779 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.3 m -80.83 -17.75 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.992 0.425 . . . . 0.0 110.397 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 114' ' ' SER . . . -54.33 -25.47 33.62 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' GLY . 72.2 m -38.62 112.72 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.922 0.391 . . . . 0.0 110.634 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.89 -35.8 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.049 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -50.75 -41.79 56.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -62.49 -43.49 98.68 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.211 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.611 HH21 ' CB ' ' A' ' 81' ' ' ASP . 74.2 ttt180 -59.0 -40.49 85.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.496 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -59.3 -36.73 76.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.836 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.495 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.8 m-20 -59.34 -38.74 81.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.689 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.42 -44.03 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 0.0 110.457 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.461 ' CD2' ' OD1' ' A' ' 81' ' ' ASP . 95.8 mt -66.22 -30.81 71.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.882 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.495 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 81.4 m-20 60.22 44.36 12.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.622 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.528 179.916 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.5 t80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.88 0.371 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -60.92 -41.8 96.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.811 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.1 -45.88 92.07 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.4 ' HZ3' ' HB2' ' A' ' 93' ' ' LEU . 12.6 ttmt -61.82 -39.24 91.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.385 . . . . 0.0 110.453 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.8 -41.03 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.464 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.5 tp -59.23 -36.35 75.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.377 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.86 -36.69 79.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -84.45 103.94 14.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.964 0.411 . . . . 0.0 110.777 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -72.84 -27.87 62.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -53.58 -41.77 66.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.505 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.9 m -77.88 -31.5 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.608 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -57.19 -30.87 64.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 72.1 mtp85 -53.73 -39.98 65.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.927 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -70.25 -29.74 66.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.199 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 38' ' ' THR . 96.2 m-85 -88.47 9.3 24.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.304 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.2 t -56.77 -39.65 65.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.513 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -84.41 3.94 33.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.488 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' PHE . 53.8 m -123.73 139.74 53.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 53.2 p30 -78.79 165.79 23.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 110.578 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.4 mtt -61.05 -35.81 77.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.403 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.1 -55.86 27.6 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.033 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -62.16 -35.5 78.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.608 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.4 tt0 -57.11 -44.98 83.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.841 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -60.86 -35.66 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.341 . . . . 0.0 110.729 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -59.5 -41.31 89.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.796 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -61.34 -44.44 97.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.9 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.608 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.5 OUTLIER -59.66 -38.24 80.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.696 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -60.48 -46.94 88.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.953 0.406 . . . . 0.0 110.092 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -66.41 -40.23 89.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.385 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.09 -46.04 92.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.562 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.8 ttt -60.77 -40.65 93.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.778 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.2 m -62.01 -39.65 92.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -60.37 -38.02 82.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.07 -31.25 68.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.921 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -89.69 11.32 20.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.729 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.3 mmt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.878 0.37 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 71' ' ' GLN . 77.6 mtt85 -57.79 -36.99 72.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.9 85.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.68 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.78 85.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.609 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -93.33 -14.73 26.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' ARG . 41.5 tt0 -57.8 -37.83 74.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -55.8 -40.13 72.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.496 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' A' ' 77' ' ' ALA . 93.1 mt -63.46 -38.36 90.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.406 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.25 -40.29 88.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.957 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -62.48 -36.11 81.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.963 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -92.77 -61.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.981 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.44 146.06 36.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.822 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -83.91 113.93 3.81 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.4 tp -103.68 131.27 51.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.752 0.31 . . . . 0.0 110.675 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.476 ' HG1' ' CE1' ' A' ' 83' ' ' HIS . 51.0 p -121.39 166.5 14.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.722 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.553 ' CG ' ' HE ' ' A' ' 118' ' ' ARG . 95.2 m-20 -56.77 -36.62 70.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.877 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 2.6 p -51.62 -40.14 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.543 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.476 ' CE1' ' HG1' ' A' ' 80' ' ' THR . 77.3 m80 -59.14 -41.33 88.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.959 0.409 . . . . 0.0 110.264 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.05 -44.58 87.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.542 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -63.28 -33.99 76.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.941 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.0 -61.3 2.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.42 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.2 tt -62.82 -31.5 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.551 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.38 -41.8 84.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.553 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.65 -36.94 82.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.535 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.42 -37.77 76.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.622 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.2 tp -61.28 -39.36 90.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.441 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.3 t -62.94 -43.61 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.8 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.4 ' HB2' ' HZ3' ' A' ' 24' ' ' LYS . 74.2 mt -63.49 -36.63 84.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.732 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.2 m -59.11 -41.95 89.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.852 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.8 mt -63.03 -36.02 82.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -59.99 -36.73 77.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.495 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.59 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.499 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.2 mt -81.03 0.87 33.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.7 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 47.6 t30 61.92 49.93 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.562 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.2 t -103.14 138.37 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.0 t -54.31 140.78 32.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.588 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -58.46 -36.87 74.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.1 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -55.84 -42.75 76.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.815 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.21 -37.53 83.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.398 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.4 mt -61.73 -39.8 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.646 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -58.31 -38.75 77.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.801 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.16 -36.99 85.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.578 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.78 -41.24 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.507 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 113' ' ' GLY . 75.9 t -62.23 -40.42 87.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.678 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.5 m -58.21 -40.44 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.5 mt -57.03 -50.78 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.612 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.08 -21.97 8.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.481 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -73.28 64.59 1.68 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.0 m -116.37 140.72 49.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.837 0.351 . . . . 0.0 110.405 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.463 ' CG1' HD22 ' A' ' 119' ' ' ASN . 69.5 t -66.87 -41.23 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.056 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.64 -43.89 89.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.144 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -63.8 -47.39 81.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.375 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.553 ' HE ' ' CG ' ' A' ' 81' ' ' ASP . 73.9 ttt180 -61.25 -42.09 98.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.603 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.463 HD22 ' CG1' ' A' ' 115' ' ' VAL . 86.9 m-20 -60.52 -36.1 77.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.496 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 91.1 m-20 -59.13 -39.02 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.68 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.9 t -63.29 -44.07 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.482 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.454 ' CD2' ' OD1' ' A' ' 81' ' ' ASP . 89.7 mt -65.41 -31.67 72.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.496 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 83.3 m-20 59.28 43.56 16.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.173 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.531 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.1 t80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.866 0.365 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -58.09 -41.37 83.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.83 -45.84 90.93 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.411 ' HZ1' ' CB ' ' A' ' 93' ' ' LEU . 56.9 mttt -62.82 -37.35 86.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.523 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.9 t -62.53 -42.61 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.536 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.6 tp -59.98 -37.52 79.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.501 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.81 84.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -85.21 103.11 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 110.76 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.17 -27.04 61.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 -53.97 -41.92 68.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.456 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.4 m -79.97 -29.92 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.78 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -57.69 -31.0 65.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.022 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.442 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 84.6 mtm180 -54.18 -39.27 66.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.898 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -70.5 -29.6 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.321 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -88.02 10.48 18.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.586 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.442 ' CG1' ' O ' ' A' ' 33' ' ' ARG . 32.9 m -63.01 -34.1 64.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.497 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -86.61 4.15 41.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.4 m -124.49 140.95 52.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.477 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 42' ' ' LYS . 48.2 p30 -75.21 160.43 30.4 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.465 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mtp -61.44 -36.3 79.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.55 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.85 -57.06 12.15 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.086 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.464 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 78.9 tttt -60.81 -34.36 74.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.915 0.388 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.589 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.3 tt0 -54.77 -41.24 70.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.894 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -59.24 -36.43 75.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.94 0.4 . . . . 0.0 110.604 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -59.42 -40.31 86.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.764 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -60.73 -46.39 90.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -61.29 -37.54 83.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.686 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -60.07 -48.62 80.94 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.289 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -66.74 -39.1 87.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.413 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.92 -48.47 81.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.831 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.2 ttt -63.11 -40.46 97.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.786 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.5 m -61.92 -39.67 92.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.641 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -59.46 -36.55 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.807 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.93 -29.89 63.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.717 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -91.68 7.25 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.761 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.733 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.591 0.234 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.568 ' NH2' ' OD1' ' A' ' 120' ' ' ASP . 78.8 mtt85 -59.59 -38.95 82.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.701 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.68 83.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.689 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.56 83.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.715 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -95.43 -17.1 21.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' ARG . 1.7 tt0 -58.75 -38.92 79.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.788 0.328 . . . . 0.0 110.637 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.57 -38.95 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.613 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.48 ' O ' ' O ' ' A' ' 77' ' ' ALA . 76.1 mt -60.47 -40.61 91.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.69 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.74 -42.63 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.83 -35.73 82.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -89.75 -60.96 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.944 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.48 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -108.16 146.32 32.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.773 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.0 120.81 5.31 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.6 tp -104.31 132.44 50.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.589 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.732 ' HG1' ' CE1' ' A' ' 83' ' ' HIS . 62.3 p -120.0 162.09 19.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.609 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -58.81 -38.72 79.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.831 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 p -57.26 -37.69 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.98 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.732 ' CE1' ' HG1' ' A' ' 80' ' ' THR . 38.8 m80 -58.2 -44.95 88.37 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.638 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -61.14 -45.56 94.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.994 0.426 . . . . 0.0 110.275 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -64.52 -34.05 77.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.98 -60.18 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.452 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.0 tt -62.91 -26.51 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.645 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.69 -40.7 95.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.69 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.14 -36.01 82.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.638 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -56.86 -38.65 73.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.413 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.6 tp -62.51 -39.64 94.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.429 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.99 -43.28 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.755 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.411 ' CB ' ' HZ1' ' A' ' 24' ' ' LYS . 80.9 mt -62.31 -36.19 81.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.755 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.7 m -58.05 -42.31 85.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.603 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 73.7 mt -64.74 -35.24 80.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.654 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.611 ' NE2' ' CD1' ' A' ' 105' ' ' ILE . 99.5 mm-40 -59.66 -37.89 79.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.494 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.31 -31.77 73.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.513 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.5 mt -80.26 -2.03 43.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.63 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 60.56 50.25 5.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.52 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.0 t -101.57 139.28 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.472 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.5 t -54.03 140.51 31.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.643 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.518 HE22 ' NE2' ' A' ' 96' ' ' GLN . 1.8 tp-100 -59.21 -36.33 75.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.091 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -55.28 -42.8 74.05 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.862 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.05 -37.14 83.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.356 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.611 ' CD1' ' NE2' ' A' ' 96' ' ' GLN . 84.0 mt -61.14 -39.93 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.708 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.27 -39.85 80.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.509 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.44 -37.4 85.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.559 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.14 -39.38 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.669 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.579 ' O ' ' N ' ' A' ' 113' ' ' GLY . 73.8 t -59.68 -40.85 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.685 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.6 m -59.04 -41.19 87.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.4 mt -59.25 -51.44 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.811 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.426 ' C ' ' H ' ' A' ' 114' ' ' SER . 18.7 m -82.93 -19.69 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.557 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -74.06 13.35 4.52 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 112' ' ' VAL . 54.0 m -58.33 135.14 57.11 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.364 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 73.3 t -69.48 -40.93 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -57.56 -43.89 84.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.147 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -63.8 -45.6 88.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.486 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -58.7 -42.79 89.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.43 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 123' ' ' ASN . 86.7 m-20 -61.25 -39.7 91.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.515 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.568 ' OD1' ' NH2' ' A' ' 67' ' ' ARG . 89.5 m-20 -63.81 -43.33 96.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.769 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.99 -44.75 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.656 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 67.5 mt -81.67 -12.55 58.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.612 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.496 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 84.0 m-20 58.09 43.47 20.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.232 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 123' ' ' ASN . 82.1 mtm180 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.623 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.6 t80 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.837 0.351 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -58.11 -43.15 86.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.43 -44.68 96.47 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -62.11 -38.83 90.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.937 0.398 . . . . 0.0 110.514 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.73 -40.26 84.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.698 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.48 -35.26 73.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.433 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.67 81.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.82 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -84.78 103.92 14.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.973 0.416 . . . . 0.0 110.757 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -72.79 -28.66 62.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.289 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -54.05 -42.03 68.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.47 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.5 m -80.07 -31.1 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.742 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -56.93 -31.57 65.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.988 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -54.76 -40.15 69.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.919 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -70.92 -29.32 65.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.204 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.486 ' O ' ' O ' ' A' ' 38' ' ' THR . 89.7 m-85 -88.1 5.47 40.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.51 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 51.3 t -57.95 -44.52 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.372 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -61.16 -34.48 75.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.486 ' O ' ' O ' ' A' ' 35' ' ' PHE . 58.9 m -94.91 141.7 28.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.774 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 50.2 p30 -72.86 162.44 29.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.555 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.3 mtt -61.04 -34.9 75.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.356 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.02 -57.03 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.971 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -62.11 -33.81 75.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.48 ' O ' ' OE1' ' A' ' 47' ' ' GLN . 7.3 tt0 -54.79 -39.88 68.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -59.45 -39.68 84.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.579 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -61.92 -40.7 96.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.739 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -61.13 -45.41 94.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.614 ' N ' ' OE1' ' A' ' 47' ' ' GLN . 2.4 mp0 -61.02 -37.66 83.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.473 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -60.71 -47.8 84.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.374 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.24 -40.68 90.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.451 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -61.32 -45.99 92.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.684 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.0 tpt -61.21 -39.6 90.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.733 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.3 m -61.77 -40.26 94.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.763 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -59.75 -36.48 76.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.688 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.79 -29.67 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.671 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -89.12 7.68 33.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.857 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.59 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.657 0.265 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -59.46 -37.48 78.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.676 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.42 84.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.62 -37.52 87.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.657 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -88.87 -18.66 27.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.549 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -58.78 -37.27 75.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -56.95 -40.57 76.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.745 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.58 ' O ' ' N ' ' A' ' 77' ' ' ALA . 75.0 mt -63.73 -37.29 86.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.565 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.54 -37.97 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.0 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -59.94 -37.82 80.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.966 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -111.89 -61.16 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.374 . . . . 0.0 110.92 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . -74.73 147.15 41.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -101.11 86.78 0.63 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.8 tp -100.27 130.55 46.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 110.517 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.9 p -124.08 169.3 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.543 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.495 ' OD1' ' CD2' ' A' ' 122' ' ' LEU . 95.5 m-20 -53.56 -36.33 61.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.657 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 2.4 p -53.43 -39.64 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.934 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.455 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 74.4 m80 -58.33 -41.69 85.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.497 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -57.66 -43.43 84.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.256 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.82 -35.22 79.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.798 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.75 -61.16 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.281 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.5 tt -62.84 -26.18 40.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.685 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.2 99.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.687 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.01 -36.4 84.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.712 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -58.77 -38.14 77.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.446 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.78 -39.53 91.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.373 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.3 t -63.76 -44.08 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.614 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.3 mt -63.42 -36.11 82.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.674 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.6 m -58.67 -42.08 87.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.17 -35.61 81.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.593 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -59.47 -36.89 76.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.481 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.66 -31.59 72.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.463 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 59.0 mt -80.91 -0.77 40.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.705 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 61.05 50.38 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.534 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 44.0 t -102.41 139.55 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.457 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.4 t -54.36 141.5 30.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.815 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -59.3 -35.12 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.137 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.12 -41.9 68.88 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.742 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.56 -37.24 86.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.237 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 82.4 mt -61.26 -38.93 80.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.683 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -58.02 -40.66 81.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.492 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.55 -36.93 85.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.436 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.16 -39.19 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.673 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.573 ' O ' ' N ' ' A' ' 113' ' ' GLY . 73.2 t -59.69 -41.26 84.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.1 m -59.86 -41.54 91.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.8 mt -59.91 -51.48 72.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.811 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 20.7 m -82.21 -20.59 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.637 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -76.41 9.97 18.77 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.7 m -59.64 135.54 57.71 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.395 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 72.9 t -70.07 -40.51 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.135 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -57.56 -43.08 84.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -62.38 -44.99 95.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.375 . . . . 0.0 110.537 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -58.66 -41.07 85.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.481 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -60.51 -36.25 77.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.933 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.486 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.3 m-20 -58.48 -38.42 77.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.837 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.16 -43.55 96.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.977 0.418 . . . . 0.0 110.511 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.495 ' CD2' ' OD1' ' A' ' 81' ' ' ASP . 90.4 mt -65.96 -26.64 67.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.801 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.486 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 78.7 m-20 61.49 44.71 9.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.55 -179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.397 179.871 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.5 t80 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.903 0.382 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -59.5 -41.62 90.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.61 -41.59 82.35 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -61.13 -38.65 87.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.429 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.51 -42.55 95.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.614 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.38 -37.58 81.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.52 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.66 91.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.991 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -87.59 106.0 17.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.034 0.445 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -72.83 -27.32 61.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.123 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.5 mtm-85 -55.04 -42.1 72.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.764 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.8 m -78.56 -30.93 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -56.95 -33.52 67.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.463 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 83.6 mtp180 -56.31 -38.24 71.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.143 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -69.66 -31.09 68.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.45 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -85.01 9.82 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.381 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' A' ' 33' ' ' ARG . 33.9 m -64.53 -32.55 58.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.46 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -84.26 0.63 48.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.388 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.0 m -126.49 141.27 51.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.321 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 23.9 p-10 -73.13 159.27 33.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.57 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 68.8 mtm -59.89 -34.34 73.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.127 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.49 -58.13 9.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.061 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -62.43 -33.76 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 110.622 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.591 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.3 tt0 -54.2 -41.79 69.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.82 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -59.57 -37.0 77.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.692 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -59.11 -39.24 81.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.845 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -59.94 -45.06 93.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.591 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.4 OUTLIER -59.04 -38.84 80.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.41 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.446 ' O ' ' OG1' ' A' ' 52' ' ' THR . 51.4 tttm -62.73 -48.06 80.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.387 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.43 -41.05 89.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.797 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -61.86 -51.15 69.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.76 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.3 ttp -62.42 -37.81 87.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.294 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 48' ' ' LYS . 51.9 m -62.17 -37.92 87.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.639 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -57.52 -37.61 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.966 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.05 -33.08 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.871 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -76.28 -5.4 46.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.579 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.672 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.1 mmt . . . . . 0 N--CA 1.461 0.085 0 CA-C-O 120.726 0.298 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.507 ' NH2' ' OD1' ' A' ' 120' ' ' ASP . 77.9 mtt85 -55.74 -39.51 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.791 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.2 90.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.37 80.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -92.01 -17.98 24.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.785 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -59.92 -38.98 83.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.682 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -57.84 -39.44 77.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' A' ' 77' ' ' ALA . 68.9 mt -62.57 -39.71 94.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.613 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.0 t -65.37 -41.91 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.89 -36.41 83.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.856 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -89.08 -61.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.489 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.4 146.61 35.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.705 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.86 126.65 8.07 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 36.2 tp -104.59 132.71 50.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 0.0 110.679 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.554 ' OG1' ' ND1' ' A' ' 83' ' ' HIS . 72.6 p -120.86 161.43 21.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.535 ' CG ' ' NH2' ' A' ' 118' ' ' ARG . 82.9 m-20 -60.53 -36.89 79.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.003 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.7 p -52.77 -36.96 24.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.0 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.554 ' ND1' ' OG1' ' A' ' 80' ' ' THR . 78.7 m80 -57.47 -45.06 85.24 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.516 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -62.79 -45.04 94.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.28 -37.52 80.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.963 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.13 -59.01 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.133 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.2 tt -62.88 -32.69 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.768 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.85 -43.93 74.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.626 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.63 -37.33 85.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.713 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.09 -38.05 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.735 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.73 -39.96 93.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.677 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.88 -43.35 97.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.581 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.2 mt -64.16 -36.59 84.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.756 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.2 m -58.85 -42.57 89.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.798 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.67 -36.14 82.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.529 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.5 -37.05 79.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.494 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.86 -31.26 72.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.499 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.9 mt -81.3 0.35 37.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.696 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 61.89 51.06 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.574 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.7 t -100.9 138.5 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.432 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.7 t -54.76 140.03 37.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.678 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -59.13 -36.69 75.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.206 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.31 -42.92 74.35 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.683 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.31 -37.23 83.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 110.312 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.5 -39.1 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.753 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -57.9 -41.51 82.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.23 -37.87 86.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.4 . . . . 0.0 110.364 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.77 -39.38 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.684 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.567 ' O ' ' N ' ' A' ' 113' ' ' GLY . 79.5 t -60.1 -41.62 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.789 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.6 m -60.36 -41.27 93.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.768 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.4 mt -59.31 -52.0 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.919 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.8 m -81.64 -23.2 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.627 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -87.28 12.62 62.08 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.9 m -58.93 143.78 46.85 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.424 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 71.3 t -67.05 -41.8 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.8 -44.42 93.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.184 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -65.27 -46.93 78.49 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.677 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.535 ' NH2' ' CG ' ' A' ' 81' ' ' ASP . 75.5 ttt-85 -58.95 -43.57 91.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.457 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -63.37 -37.17 86.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.674 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.507 ' OD1' ' NH2' ' A' ' 67' ' ' ARG . 89.8 m-20 -59.47 -39.27 83.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.705 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.37 -42.65 96.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.359 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 78.7 mt -81.25 -11.7 59.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.579 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 59.14 40.39 21.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.292 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.484 179.92 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.0 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.801 0.334 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -57.97 -42.08 84.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.764 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.88 -45.1 94.01 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -61.99 -40.59 96.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.87 0.366 . . . . 0.0 110.213 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.02 -41.17 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.4 tp -58.57 -36.64 74.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.388 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.0 76.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.934 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -83.87 103.22 12.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.997 0.427 . . . . 0.0 110.793 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -72.14 -28.5 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.177 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -53.77 -41.84 67.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.827 -178.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.3 m -79.2 -30.55 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -57.25 -31.67 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 72.9 mtp85 -53.77 -40.43 66.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.082 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -69.27 -32.18 71.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.204 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -86.01 9.33 17.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.407 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.5 t -57.31 -38.47 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.435 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -85.47 6.13 28.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.43 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.4 m -120.48 141.64 50.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.433 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 42' ' ' LYS . 50.6 p30 -76.6 162.67 27.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.744 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.7 mtt -61.76 -35.66 78.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.314 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.49 -58.51 7.34 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.152 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.454 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 84.1 tttt -60.24 -34.22 73.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.904 0.383 . . . . 0.0 110.515 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.584 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.1 tt0 -54.48 -41.92 70.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.022 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -61.28 -36.55 80.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.575 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -61.16 -40.88 95.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -60.79 -46.56 90.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.806 0.336 . . . . 0.0 110.807 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.584 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.5 OUTLIER -60.94 -37.82 83.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.794 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -60.25 -46.84 88.41 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.327 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -66.47 -38.52 87.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.478 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.35 -47.56 85.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.052 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.5 ttt -64.7 -41.26 96.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.176 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.8 m -60.13 -43.92 95.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.97 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -63.22 -36.75 84.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.517 ' O ' ' CG2' ' A' ' 111' ' ' ILE . . . -59.56 -32.69 70.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -87.38 10.34 17.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.442 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.504 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.788 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 mmt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.917 0.389 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.588 HH12 ' C ' ' A' ' 124' ' ' ARG . 86.2 mtt180 -56.53 -38.62 72.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.929 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.47 83.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.711 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.3 -35.34 80.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -97.19 -12.29 23.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.099 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 67' ' ' ARG . 50.8 tt0 -58.46 -37.97 76.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 110.766 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -57.91 -39.81 78.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.492 ' O ' ' O ' ' A' ' 77' ' ' ALA . 59.2 mt -60.99 -40.51 93.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.881 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.0 t -61.96 -40.0 85.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.058 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.3 -36.9 81.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.823 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -95.24 -61.81 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.348 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.76 143.76 40.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 111.199 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.85 119.22 5.19 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.1 tp -106.27 130.89 54.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.773 0.32 . . . . 0.0 110.773 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 30.8 p -125.14 164.67 19.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.663 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.411 ' OD1' ' CD2' ' A' ' 122' ' ' LEU . 95.5 m-20 -57.54 -34.91 69.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.196 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 2.8 p -51.13 -38.46 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.824 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.416 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 68.1 m80 -57.91 -41.41 82.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.9 0.381 . . . . 0.0 110.364 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.95 -43.87 91.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.574 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -59.67 -36.69 76.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.187 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.7 -59.01 4.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.494 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.2 tt -62.84 -32.72 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.787 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.21 -40.99 90.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.97 0.415 . . . . 0.0 110.359 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.37 -36.38 82.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.548 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -57.05 -39.05 74.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.532 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.33 -39.63 91.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.321 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.0 t -64.28 -42.84 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.629 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.4 mt -64.34 -36.21 83.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.1 m -58.48 -42.03 86.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.8 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.3 mt -62.9 -36.04 82.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.583 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -60.72 -36.37 78.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.57 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.93 -32.64 73.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.508 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.5 mt -83.72 -0.34 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.739 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.4 t30 60.39 51.23 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.617 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 43.5 t -100.16 140.4 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.352 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.9 t -52.7 141.87 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -59.12 -35.68 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.141 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -53.62 -41.35 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.729 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 77.5 mt -65.84 -37.41 86.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.904 0.383 . . . . 0.0 110.328 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.68 -39.65 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.693 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -59.11 -40.16 84.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.627 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.88 -38.28 90.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.441 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 72.2 t -64.93 -40.15 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.678 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 113' ' ' GLY . 77.8 t -61.55 -41.29 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.89 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 52.5 m -59.49 -40.74 87.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.394 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.517 ' CG2' ' O ' ' A' ' 54' ' ' ALA . 85.1 mt -58.86 -49.68 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.834 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.55 ' C ' ' H ' ' A' ' 114' ' ' SER . 14.0 m -80.83 -20.14 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.563 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -62.99 7.04 0.3 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.55 ' H ' ' C ' ' A' ' 112' ' ' VAL . 49.0 m -59.57 131.36 50.71 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.434 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 73.6 t -70.32 -40.94 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -58.06 -42.57 85.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.428 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -63.1 -46.28 88.1 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.477 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -59.96 -41.64 92.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.402 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -59.79 -36.41 76.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.704 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.505 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 91.0 m-20 -58.44 -37.13 74.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.521 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.0 t -60.94 -43.16 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.353 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.411 ' CD2' ' OD1' ' A' ' 81' ' ' ASP . 77.5 mt -77.36 -15.96 59.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.737 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.505 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 88.8 m-20 60.6 48.0 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.894 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.588 ' C ' HH12 ' A' ' 67' ' ' ARG . 16.3 mtp180 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.205 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.1 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.854 0.359 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -60.81 -42.22 97.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.87 -46.96 91.8 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.562 ' HZ1' ' CG ' ' A' ' 90' ' ' ASN . 65.0 tttm -62.5 -39.77 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 110.5 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.9 t -62.07 -40.43 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.429 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.3 tp -59.23 -36.49 75.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.525 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.13 91.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.62 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.47 ' OD1' ' CZ ' ' A' ' 30' ' ' ARG . 58.1 t0 -92.02 101.6 14.14 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.528 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.86 -21.58 60.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.47 ' CZ ' ' OD1' ' A' ' 28' ' ' ASP . 90.2 mtm-85 -52.4 -40.3 61.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.208 -179.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.6 m -78.38 -31.02 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.69 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -58.73 -31.52 68.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -54.66 -39.36 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.881 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -68.55 -30.77 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.249 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.494 ' O ' ' O ' ' A' ' 38' ' ' THR . 95.3 m-85 -86.16 5.17 35.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.519 -179.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.6 t -57.58 -46.17 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.42 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -62.58 -34.91 77.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.517 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 35' ' ' PHE . 34.7 m -90.5 140.29 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.508 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.8 p30 -75.64 167.96 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.551 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.37 -34.34 75.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.194 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.66 -59.27 5.7 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.969 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.74 -32.48 73.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 0.0 110.544 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.554 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.2 tt0 -55.47 -44.2 76.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -62.85 -39.25 93.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.83 0.348 . . . . 0.0 110.438 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -61.48 -39.71 91.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.762 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -58.98 -45.24 91.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.568 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.604 ' N ' ' OE1' ' A' ' 47' ' ' GLN . 0.6 OUTLIER -61.31 -38.36 86.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.542 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -61.58 -50.9 70.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.437 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -66.24 -40.02 89.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.669 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -61.6 -49.33 77.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.785 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.7 ttt -64.88 -46.02 83.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.749 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.1 m -62.04 -40.83 97.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.705 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -61.03 -37.37 82.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.729 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.34 -32.12 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -86.25 5.93 32.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.654 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.921 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.797 0.332 . . . . 0.0 110.685 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 71' ' ' GLN . 96.6 mtt180 -57.87 -36.94 73.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.755 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.36 80.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.746 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.77 85.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -95.4 -14.24 23.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 67' ' ' ARG . 48.6 tt0 -56.95 -40.45 76.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.804 0.335 . . . . 0.0 110.485 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -59.78 -38.46 81.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.451 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.551 ' O ' ' N ' ' A' ' 77' ' ' ALA . 88.8 mt -61.06 -43.3 99.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.825 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.9 t -65.81 -44.03 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.01 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.44 -35.09 79.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.645 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -92.04 -60.55 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . -104.82 150.13 25.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.051 0.453 . . . . 0.0 110.902 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.29 114.65 4.44 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -98.78 135.96 39.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.689 0.28 . . . . 0.0 110.326 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.597 ' OG1' ' ND1' ' A' ' 83' ' ' HIS . 43.4 p -115.01 159.26 21.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.574 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -60.74 -37.43 81.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.248 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 p -57.52 -39.2 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.224 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.597 ' ND1' ' OG1' ' A' ' 80' ' ' THR . 40.9 m80 -57.23 -45.03 84.26 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.698 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -61.43 -45.73 93.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.401 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.04 -35.58 80.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.687 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.34 -59.46 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -63.24 -33.06 58.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.656 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.17 -43.46 78.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.967 0.413 . . . . 0.0 110.504 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.02 -37.16 83.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.422 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.562 ' CG ' ' HZ1' ' A' ' 24' ' ' LYS . 87.4 m-20 -57.68 -37.86 74.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.549 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.72 -40.52 92.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.512 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 72.0 t -65.23 -43.56 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.667 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.23 -35.34 80.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.534 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.5 m -57.97 -40.87 81.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.682 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.44 -37.34 83.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.57 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.9 -37.15 81.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.518 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.04 -33.19 75.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.752 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 60.5 mt -84.47 -0.81 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.7 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 49.2 t30 59.61 52.77 5.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.551 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 40.4 t -93.0 137.55 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.32 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.2 t -55.11 142.62 30.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.647 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -57.22 -37.24 71.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.903 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -56.7 -42.86 79.83 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.757 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.5 -38.0 83.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 110.435 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.29 -39.36 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.526 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -58.31 -38.68 77.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.645 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.08 -37.78 88.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.416 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.67 -39.96 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.585 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.591 ' O ' ' N ' ' A' ' 113' ' ' GLY . 75.2 t -61.55 -41.46 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.766 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.0 m -62.32 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.707 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.9 mt -62.23 -52.11 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 20.4 m -79.02 -23.62 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.897 0.38 . . . . 0.0 110.344 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -56.5 -26.09 51.26 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.2 m -41.3 118.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.004 0.43 . . . . 0.0 110.507 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 68.9 t -66.99 -33.78 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.023 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -51.53 -44.26 62.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.948 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -65.34 -45.75 82.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.576 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -58.81 -43.7 90.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.514 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -63.79 -37.85 88.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.455 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 93.2 m-20 -59.62 -39.73 85.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.787 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.95 -43.68 99.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.397 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.1 mt -75.08 -16.32 60.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.511 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 76.3 m-20 60.49 44.46 11.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.547 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 65.4 mtp85 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.561 179.845 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.7 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.776 0.322 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -57.41 -41.49 80.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.04 -44.87 92.86 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -62.52 -41.4 98.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.466 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.17 -45.08 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.505 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.93 -35.85 82.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.487 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.58 -35.95 81.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -85.93 108.67 18.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -73.27 -26.33 61.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.006 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -54.78 -41.94 71.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.445 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.9 m -80.73 -30.08 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.779 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -56.45 -30.53 62.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -53.51 -39.67 64.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.693 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -70.9 -30.5 66.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -87.15 9.71 19.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.24 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.01 -41.83 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.469 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -86.89 5.84 34.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.49 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.7 m -120.47 141.42 50.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.582 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.8 p30 -82.48 163.95 21.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.764 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.0 mtt -62.38 -35.3 78.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.177 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.45 -59.19 5.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.77 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -62.34 -33.43 74.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.382 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.413 ' HG2' HE21 ' A' ' 47' ' ' GLN . 7.5 tt0 -53.74 -42.06 67.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.79 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -62.72 -38.1 89.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -59.77 -42.48 93.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.442 ' ND1' ' OE1' ' A' ' 47' ' ' GLN . 56.4 t-80 -65.94 -48.91 69.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.604 ' N ' ' OE1' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -61.53 -39.94 92.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.683 -179.853 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -61.92 -47.58 84.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.446 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -64.31 -39.62 94.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.436 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -62.68 -46.04 90.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.7 ttt -61.17 -38.8 87.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.73 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.4 m -62.71 -38.57 90.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.748 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -57.86 -37.5 74.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.894 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.68 -33.32 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.902 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -77.65 -2.87 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.766 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 179.556 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.638 0.256 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.27 -39.76 83.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.865 0.364 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.08 83.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.651 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.76 -36.86 85.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.749 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -94.45 -13.23 26.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.76 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -59.42 -37.89 79.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.801 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -57.45 -40.83 79.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.594 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' A' ' 77' ' ' ALA . 76.7 mt -64.39 -38.9 92.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.624 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.16 -41.78 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.31 -35.22 79.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -91.5 -61.79 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.497 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.72 148.79 31.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.32 108.34 2.92 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 36.3 tp -100.76 129.05 46.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.624 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.0 p -122.85 166.48 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.624 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.522 ' CG ' ' HE ' ' A' ' 118' ' ' ARG . 94.3 m-20 -55.27 -34.64 64.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.398 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 2.4 p -49.58 -40.23 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.763 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.457 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 76.5 m80 -60.51 -42.79 97.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.422 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -59.24 -44.05 92.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.493 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.28 -35.62 81.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.62 -59.97 4.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.478 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.0 tt -62.07 -26.72 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.579 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.34 96.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -64.59 -35.39 80.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.789 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -56.72 -39.72 74.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.52 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.95 -38.19 90.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.621 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.2 t -62.14 -43.2 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.667 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.15 -36.59 82.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.649 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.4 m -59.11 -43.01 91.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.671 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.35 -36.29 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -60.52 -36.84 79.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.372 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.85 -31.22 72.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.439 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.1 mt -83.17 2.93 33.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.592 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 61.98 51.48 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.3 t -100.72 138.05 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.3 t -59.43 143.76 48.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.68 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.14 -36.11 72.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.894 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -55.49 -42.49 74.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.649 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.2 mt -66.75 -37.61 84.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.418 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.81 -38.48 81.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.661 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -57.9 -39.4 77.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.658 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.63 -36.23 83.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.522 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.3 t -64.81 -39.77 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.628 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 113' ' ' GLY . 78.3 t -60.81 -41.13 87.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.8 m -60.25 -41.41 93.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.933 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.83 -50.59 78.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.77 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.562 ' C ' ' H ' ' A' ' 114' ' ' SER . 18.9 m -81.69 -19.04 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.518 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -67.67 14.02 0.58 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.562 ' H ' ' C ' ' A' ' 112' ' ' VAL . 60.3 m -58.64 128.74 38.69 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.368 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.68 -41.59 80.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -58.35 -42.43 86.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.086 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -63.51 -45.88 88.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.447 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.522 ' HE ' ' CG ' ' A' ' 81' ' ' ASP . 71.7 ttt180 -59.69 -41.27 90.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -60.21 -36.85 78.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.487 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 90.4 m-20 -58.86 -38.0 77.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.1 t -61.64 -42.19 93.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.664 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 64.1 mt -83.33 -10.91 58.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.776 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.487 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 87.4 m-20 58.27 43.8 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.814 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.554 179.607 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.7 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.852 0.358 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -60.7 -42.81 97.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.981 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.14 -45.91 93.38 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.653 ' HZ2' ' CD1' ' A' ' 93' ' ' LEU . 10.9 tttt -63.23 -42.66 99.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.3 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.51 -39.59 85.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.18 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 tp -59.13 -36.59 75.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.412 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.41 83.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -86.01 106.72 17.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.832 0.349 . . . . 0.0 110.52 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -75.91 -20.2 58.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -57.2 -40.54 77.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.256 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.9 m -81.21 -30.67 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.981 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.19 -33.99 68.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.261 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -56.35 -39.99 73.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.784 0.326 . . . . 0.0 110.92 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -69.89 -32.49 70.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.327 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.494 ' O ' ' O ' ' A' ' 38' ' ' THR . 81.7 m-85 -83.18 5.91 21.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.24 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.0 t -57.21 -43.23 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.401 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.621 ' ND2' HD21 ' A' ' 76' ' ' ASN . 84.3 m-20 -59.6 -33.71 71.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.585 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 35' ' ' PHE . 62.8 m -98.91 141.62 31.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.732 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.438 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.5 p30 -76.76 165.72 24.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.687 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -61.27 -35.42 77.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.201 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.03 -58.52 8.09 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.962 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -61.94 -33.62 74.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.752 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.589 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.2 tt0 -55.0 -41.65 71.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.925 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -60.54 -37.1 80.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.373 . . . . 0.0 110.452 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -60.55 -39.08 86.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.709 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -59.01 -43.4 91.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.743 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -59.61 -38.2 80.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.478 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -61.3 -49.77 75.67 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.317 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -68.35 -41.97 79.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.418 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -63.39 -46.47 86.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.755 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.5 ttt -61.04 -40.83 95.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.72 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.4 m -63.23 -38.03 89.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.657 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -57.75 -37.52 73.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.07 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.84 67.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.97 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -82.19 1.52 35.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.713 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.651 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.773 0.32 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -61.36 -37.03 81.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.553 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.35 -34.19 77.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.748 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.11 88.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.771 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -92.02 -17.57 24.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.766 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -58.99 -37.97 78.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.798 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -58.22 -39.91 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.71 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' A' ' 77' ' ' ALA . 75.5 mt -62.04 -37.85 86.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.505 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.27 -41.85 93.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.773 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.9 -36.15 83.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.621 HD21 ' ND2' ' A' ' 37' ' ' ASN . 81.2 m-20 -89.49 -61.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.78 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.45 146.99 34.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.641 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -84.3 103.09 2.58 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 tp -103.11 131.32 50.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.718 0.294 . . . . 0.0 110.326 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 49.0 p -121.85 168.32 11.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.605 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.535 ' CB ' HH21 ' A' ' 118' ' ' ARG . 94.5 m-20 -54.26 -35.29 62.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.468 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 3.2 p -51.11 -38.05 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.69 -179.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.412 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 77.5 m80 -58.39 -44.2 88.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.355 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -60.2 -43.03 96.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.254 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.84 -37.2 81.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.829 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.96 -60.8 2.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.141 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.8 tt -62.69 -26.68 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.921 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.87 -43.85 97.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.18 -35.79 82.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.591 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.98 -38.63 73.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.522 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.7 tp -63.31 -39.4 94.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.547 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.553 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 75.0 t -64.24 -43.29 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.786 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.653 ' CD1' ' HZ2' ' A' ' 24' ' ' LYS . 82.3 mt -61.14 -36.61 80.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.722 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 50.4 m -60.19 -40.49 90.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.766 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.63 -36.83 81.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.899 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.561 ' NE2' ' N ' ' A' ' 96' ' ' GLN . 0.3 OUTLIER -60.14 -35.54 75.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.359 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.66 -32.04 73.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.501 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 59.8 mt -82.67 -0.47 47.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.3 t30 61.07 52.21 4.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.582 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.5 t -99.68 139.0 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.51 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.4 t -54.44 139.68 36.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.71 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -58.23 -37.34 74.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.228 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -56.93 -43.8 81.85 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.904 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.6 mt -68.55 -39.01 81.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.5 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.41 HD12 HE21 ' A' ' 96' ' ' GLN . 94.8 mt -63.63 -37.54 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.02 -39.77 79.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.469 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.77 -35.41 81.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.38 -39.32 84.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.721 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.555 ' O ' ' N ' ' A' ' 113' ' ' GLY . 70.6 t -59.88 -41.6 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.709 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.5 m -60.41 -41.51 94.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.9 mt -59.02 -50.88 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.75 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.9 m -82.2 -22.11 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.529 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -82.29 11.39 50.37 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.9 m -59.28 139.5 56.93 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.401 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 68.9 t -69.12 -42.11 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -59.49 -43.37 93.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.014 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -61.24 -43.3 99.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.91 0.386 . . . . 0.0 110.412 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.535 HH21 ' CB ' ' A' ' 81' ' ' ASP . 78.7 ttt180 -57.71 -39.56 77.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.51 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -58.94 -37.24 76.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.484 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.1 m-20 -59.26 -37.57 77.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.651 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.75 -42.67 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.607 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.447 ' O ' ' NH1' ' A' ' 124' ' ' ARG . 79.1 mt -83.16 -10.03 58.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.778 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.484 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 81.3 m-20 58.5 43.96 18.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 122' ' ' LEU . 82.4 mmt-85 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.396 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.1 t80 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.919 0.39 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -58.01 -42.26 84.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.974 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.46 -40.84 92.84 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -61.44 -37.19 82.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.819 0.342 . . . . 0.0 110.698 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.7 -41.24 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.72 -34.92 75.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.09 95.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -89.88 105.08 17.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.934 0.397 . . . . 0.0 110.795 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -73.06 -28.31 62.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.8 mtm-85 -54.88 -42.27 71.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.767 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.0 m -80.11 -29.8 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.718 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -57.41 -34.33 68.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.292 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -52.59 -40.01 62.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.961 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -68.3 -30.45 69.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.172 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.482 ' O ' ' O ' ' A' ' 38' ' ' THR . 97.2 m-85 -94.41 -2.6 51.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.695 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 t -60.57 -47.45 92.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.301 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -63.11 -35.51 80.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.044 0.449 . . . . 0.0 110.095 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.585 ' CG2' ' HZ1' ' A' ' 42' ' ' LYS . 62.8 m -86.23 141.04 29.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.435 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.496 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 49.7 p30 -68.17 151.65 46.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.993 0.425 . . . . 0.0 110.64 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.4 mtt -61.24 -34.06 74.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.038 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.15 -59.17 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.159 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.585 ' HZ1' ' CG2' ' A' ' 38' ' ' THR . 6.0 mtmp? -62.43 -33.85 75.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 110.673 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.589 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.3 tt0 -56.3 -42.32 77.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -59.67 -38.39 81.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.98 0.419 . . . . 0.0 110.698 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.99 -38.14 84.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -59.93 -45.12 93.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.157 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -59.86 -39.35 84.9 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.857 -179.754 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -61.54 -48.57 80.4 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.047 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -66.53 -40.14 88.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.406 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -61.34 -46.34 90.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.545 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.3 tpt -61.84 -39.94 93.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.63 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 42.5 m -60.86 -42.59 98.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.62 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -61.78 -41.95 98.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.771 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.87 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -75.04 -0.07 17.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.668 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 mmt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.669 0.271 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.93 -40.59 96.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 110.486 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.84 -33.87 75.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.23 -37.57 83.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.674 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -94.22 -16.91 23.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.678 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.34 -37.06 76.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.8 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -55.87 -40.86 73.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.757 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.5 ' O ' ' O ' ' A' ' 77' ' ' ALA . 71.5 mt -64.6 -39.63 94.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.585 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.25 -41.08 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.33 -36.54 84.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.982 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -92.18 -61.26 1.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.203 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.5 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.38 148.73 31.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 0.0 110.991 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -83.75 111.09 3.39 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.4 tp -101.13 132.38 46.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.784 0.326 . . . . 0.0 110.602 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.404 ' HG1' HG11 ' A' ' 82' ' ' VAL . 28.2 p -123.11 166.53 15.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.607 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.486 ' OD2' ' NH2' ' A' ' 118' ' ' ARG . 94.4 m-20 -56.44 -34.53 66.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.699 -179.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 2.2 p -50.37 -38.35 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.807 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.432 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 78.2 m80 -57.94 -42.85 85.73 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.352 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.66 -45.15 95.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.503 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -62.23 -37.97 87.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.46 -57.71 6.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.4 tt -62.37 -30.44 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 110.611 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.36 92.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.64 -37.51 84.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.617 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.69 -37.91 77.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.9 tp -60.68 -38.82 86.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.23 -42.78 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.767 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.3 mt -62.09 -37.12 83.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.593 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.7 m -59.77 -41.76 91.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.683 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 73.4 mt -62.8 -36.37 82.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.01 -37.03 78.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.511 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.82 -31.29 72.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.528 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 59.5 mt -82.31 1.47 36.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.689 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 61.63 50.64 4.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.641 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.2 t -102.98 138.26 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.6 t -56.25 142.84 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.612 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -58.27 -37.01 74.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.123 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -55.88 -42.73 76.35 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.697 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.9 -36.88 83.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.443 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.73 -40.21 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.675 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -58.42 -40.0 81.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.52 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.24 -36.88 83.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.383 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.56 -39.86 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 113' ' ' GLY . 78.9 t -61.07 -40.87 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.671 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.6 m -60.0 -41.2 91.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.404 HD13 HG23 ' A' ' 111' ' ' ILE . 82.5 mt -58.57 -50.79 77.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.687 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.0 m -82.32 -19.75 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.417 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -88.31 64.72 3.5 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.4 m -115.85 144.37 44.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.422 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.67 -41.5 92.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.25 -44.57 92.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.96 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -64.28 -43.2 95.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.366 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.486 ' NH2' ' OD2' ' A' ' 81' ' ' ASP . 78.3 ttt180 -57.52 -42.34 82.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.573 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -61.94 -39.12 90.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.52 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.2 -38.73 87.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.637 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.48 -41.59 92.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.579 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.2 mt -86.44 -5.82 59.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 58.21 43.96 19.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.448 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.555 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.49 ' CE2' ' CG2' ' A' ' 25' ' ' VAL . 67.1 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.734 0.302 . . . . 0.0 110.771 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -59.44 -41.01 88.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.95 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 26' ' ' LEU . . . -56.59 -37.64 76.96 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -82.04 -33.01 30.18 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.49 ' CG2' ' CE2' ' A' ' 21' ' ' PHE . 55.0 t -60.87 -47.57 92.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.526 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.539 ' CD1' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -78.87 -15.42 58.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.861 0.362 . . . . 0.0 110.475 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.521 ' N ' ' CD1' ' A' ' 26' ' ' LEU . . . -64.02 -37.58 87.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.347 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -88.15 111.34 21.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.519 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.6 -25.26 63.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -54.73 -42.74 71.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.711 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.9 m -82.91 -27.16 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.948 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -57.11 -29.64 63.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -51.32 -40.79 59.81 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.849 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -71.52 -26.23 62.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.271 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -95.34 8.43 43.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.739 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.0 t -58.11 -40.39 76.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.476 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -85.53 6.19 28.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.621 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.6 m -119.17 138.62 52.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.458 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.439 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 49.5 p30 -77.97 159.45 28.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.67 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.4 mtm -60.72 -35.94 77.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.159 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.36 -57.49 12.57 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.141 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -61.2 -35.88 78.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.611 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.602 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.2 tt0 -55.18 -42.76 73.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.315 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -59.3 -35.78 74.41 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.922 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -58.43 -41.49 85.15 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.669 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -62.63 -47.22 84.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.683 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.602 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 1.4 mp0 -61.22 -39.03 88.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -61.02 -49.46 77.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 110.402 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -67.64 -36.8 81.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.644 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -58.24 -48.86 79.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.109 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.2 ttm -63.07 -42.41 99.65 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.912 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.0 m -60.95 -43.81 98.17 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -64.9 -39.37 93.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.774 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.38 -33.16 72.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.764 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -75.76 1.73 14.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.612 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 mmt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.767 0.318 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 71' ' ' GLN . 77.6 mtt85 -59.61 -38.21 80.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.94 -35.79 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.739 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.14 85.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.586 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -99.17 -12.43 20.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 67' ' ' ARG . 32.4 tt0 -59.02 -39.41 81.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -57.89 -39.75 78.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.675 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.496 ' O ' ' O ' ' A' ' 77' ' ' ALA . 74.6 mt -63.28 -38.82 92.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.747 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.451 ' CG2' HD21 ' A' ' 123' ' ' ASN . 69.0 t -64.97 -41.24 91.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.96 -35.61 80.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -92.33 -61.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.081 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.496 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.09 149.88 29.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.942 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.13 112.93 3.8 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.2 tp -99.17 131.08 45.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.456 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.8 p -124.61 165.57 17.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.76 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -56.1 -34.42 66.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.739 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.481 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 2.6 p -46.88 -41.24 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.615 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.481 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 75.0 m80 -60.88 -44.64 96.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.888 0.375 . . . . 0.0 110.361 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -61.28 -43.99 97.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.506 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.89 -37.08 78.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.768 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.74 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.99 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -62.72 -30.69 49.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.492 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.67 87.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.39 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.28 -35.55 80.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.475 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -56.98 -39.01 73.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.819 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.7 tp -63.87 -40.03 95.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.2 t -61.31 -45.06 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.873 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.6 mt -63.59 -36.29 83.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.773 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 48.3 m -59.46 -42.09 91.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.196 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.17 -36.5 79.99 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.685 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -60.35 -38.19 83.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.276 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.25 -31.99 73.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.465 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.0 mt -82.25 -0.09 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.715 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 47.7 t30 61.38 50.81 4.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.597 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.1 t -100.32 139.0 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.461 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.4 t -54.02 140.75 30.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.695 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -59.03 -36.45 75.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.046 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -55.22 -42.26 73.13 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.776 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.5 -37.34 82.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.514 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.71 -41.09 89.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.747 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -59.2 -40.13 84.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.96 -35.01 79.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.55 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.3 t -62.67 -39.56 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.762 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 113' ' ' GLY . 65.6 t -60.11 -42.91 91.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 51.0 m -61.98 -43.19 99.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.094 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.06 -50.77 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.978 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 17.9 m -79.04 -23.77 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.598 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -82.81 14.65 35.89 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.6 m -58.59 142.32 49.61 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.317 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 71.1 t -68.09 -41.44 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.083 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -58.98 -47.15 86.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.177 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -66.72 -45.07 79.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.437 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 59.1 ttt85 -58.71 -42.28 88.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.68 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -61.53 -37.1 82.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.756 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.498 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 90.3 m-20 -60.79 -38.35 85.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.817 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.3 t -62.29 -45.22 99.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.643 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.84 -30.97 71.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.979 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.498 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 82.3 m-20 60.27 45.41 11.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.025 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.549 179.616 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.391 -0.596 . . . . 5.65 109.391 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 m -74.77 161.26 29.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 4.24 110.586 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.6 tp -50.19 -49.74 51.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 2.87 110.352 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 9' ' ' GLY . 46.4 m-85 -55.65 -37.97 68.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 5.48 110.669 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.77 -24.24 67.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 4.95 110.72 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -80.45 -54.15 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.295 -0.411 . . . . 4.09 110.58 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.7 mt -80.87 -45.32 17.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 2.7 110.76 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 5' ' ' TYR . . . 83.55 26.92 40.87 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.878 -0.889 . . . . 3.13 110.878 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.28 137.57 4.7 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.902 -0.879 . . . . 2.51 110.902 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.28 -57.94 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 2.79 110.566 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.86 -43.12 13.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 2.77 110.626 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.45 -29.79 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 2.16 110.603 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.9 t -78.54 -39.48 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 1.94 110.62 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -57.73 -48.13 80.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 2.06 110.594 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.526 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.3 mm? -71.25 -50.7 30.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 3.24 110.308 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.92 -45.92 31.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 1.45 110.579 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.0 t -73.4 -48.01 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 1.43 110.574 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -50.36 -41.76 52.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 2.35 110.562 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -59.01 -51.95 67.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 2.61 110.582 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -61.92 -52.9 62.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 1.24 110.527 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -48.56 -52.79 21.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 1.05 110.603 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.49 -35.19 50.63 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.933 -0.867 . . . . 0.66 110.933 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -74.32 -43.69 55.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 2.84 110.573 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.5 t -60.38 -26.05 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.38 110.59 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.3 tp -69.69 -43.49 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 2.24 110.277 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.96 -38.37 70.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 1.26 110.569 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -77.88 88.44 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.69 110.55 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -71.18 -1.35 12.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 2.55 110.595 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -73.41 -54.42 8.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 2.66 110.608 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.6 m -72.62 -23.2 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 1.14 110.556 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -60.52 -29.09 68.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.52 110.565 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -51.93 -29.63 21.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 3.63 110.645 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.418 ' C ' ' H ' ' A' ' 36' ' ' VAL . 76.6 m-85 -82.28 -35.28 28.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 1.34 110.634 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -79.7 25.61 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.64 110.723 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.418 ' H ' ' C ' ' A' ' 34' ' ' PHE . 89.9 t -79.07 -40.17 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 2.03 110.464 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -74.43 -40.07 62.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.25 110.566 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.4 m -79.92 145.3 32.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.22 110.577 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.2 p30 -77.97 168.51 19.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.77 110.539 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.6 mtt -69.4 -24.01 63.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 2.52 110.602 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.21 -59.01 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 1.32 110.536 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -67.44 -23.6 65.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 2.89 110.581 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.523 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.7 tt0 -56.71 -58.3 8.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.59 110.552 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -46.52 -45.62 18.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 2.4 110.59 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -49.98 -33.32 17.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 1.71 110.572 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -66.2 -51.89 53.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.43 110.564 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 4.1 mp0 -59.35 -23.51 62.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.87 110.506 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -76.14 -58.0 3.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 2.58 110.629 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -63.67 -26.13 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.45 110.563 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -76.12 -54.54 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 1.23 110.55 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.8 ttt -58.24 -21.14 47.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 1.72 110.615 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 54' ' ' ALA . 22.3 m -77.98 -56.92 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 1.22 110.578 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.451 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 53.5 t80 -49.88 -17.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 1.24 110.554 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.414 ' C ' ' H ' ' A' ' 56' ' ' GLY . . . -64.43 -43.8 93.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 1.17 110.601 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -77.55 14.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 2.21 110.586 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 54' ' ' ALA . . . 77.54 31.46 50.43 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.928 -0.869 . . . . 0.67 110.928 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 59' ' ' ASP . . . -71.43 65.41 1.03 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.948 -0.861 . . . . 0.9 110.948 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.2 p -78.62 31.06 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.802 0.334 . . . . 1.64 110.619 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.454 ' H ' ' C ' ' A' ' 57' ' ' GLY . 1.2 m-20 -46.84 -56.67 5.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 2.58 110.579 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.525 ' O ' ' CG ' ' A' ' 61' ' ' PHE . 51.0 mtm180 -152.89 106.01 3.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.212 -0.449 . . . . 7.27 110.405 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 60' ' ' ARG . 90.6 m-85 -159.64 59.47 1.34 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 2.36 110.567 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.29 34.54 0.37 Allowed 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.698 2.266 . . . . 4.85 111.873 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 65' ' ' SER . . . 47.12 -130.85 13.56 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.985 -0.846 . . . . 3.51 110.985 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.8 ttm-85 61.0 -73.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 8.43 110.626 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 63' ' ' GLY . 15.2 p -73.26 -36.6 66.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 2.39 110.651 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.4 mmt -51.99 -45.5 64.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 1.3 110.557 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' GLN . 87.7 mtt180 -62.8 -58.89 5.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 2.24 110.617 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.33 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 1.33 110.572 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.47 -47.78 69.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 1.09 110.595 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -78.16 -20.95 50.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.43 110.626 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 67' ' ' ARG . 54.9 tt0 -61.95 -41.5 98.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 1.93 110.606 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -52.94 -23.96 8.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.65 110.588 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.3 mt -76.98 -59.02 2.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 1.17 110.605 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.6 t -50.85 -17.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 1.22 110.65 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -78.11 -52.24 9.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 2.03 110.618 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -89.85 -60.28 1.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.293 -0.412 . . . . 1.02 110.628 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.98 138.82 33.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 1.21 110.667 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -81.2 64.85 4.09 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.91 -0.876 . . . . 0.63 110.91 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.72 149.28 31.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 1.41 110.447 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.521 ' OG1' ' ND1' ' A' ' 83' ' ' HIS . 77.2 p -144.38 -171.98 3.7 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.209 -0.45 . . . . 1.55 110.482 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 83' ' ' HIS . 1.7 m-20 -78.0 -54.54 6.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 1.24 110.693 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.7 p -44.99 -17.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 1.52 110.663 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.521 ' ND1' ' OG1' ' A' ' 80' ' ' THR . 31.1 m170 -78.05 -41.13 36.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.8 110.574 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' ASP . 36.7 t80 -66.83 -37.68 84.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.69 110.574 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.97 -27.93 67.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.92 110.566 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.17 -64.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 1.17 110.584 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.5 tt -58.55 -33.09 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 1.16 110.592 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.77 94.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 1.1 110.549 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -64.35 -50.99 65.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 2.09 110.539 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -44.7 -43.07 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.44 110.744 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.6 tp -57.46 -46.4 83.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 1.14 110.336 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.41 -44.08 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 1.11 110.776 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.94 -20.89 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 1.24 110.75 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 m -71.9 -46.29 58.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.358 -0.383 . . . . 1.16 110.599 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.7 mt -68.69 -22.91 64.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 1.14 110.569 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -73.23 -25.47 60.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 2.59 110.463 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -76.22 -31.51 58.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.88 110.582 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.3 mt -77.96 3.63 14.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 1.45 110.514 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.6 t30 61.32 56.16 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 1.32 111.024 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 81.1 t -109.46 132.15 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.361 -0.381 . . . . 1.44 110.296 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 t -45.58 160.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 1.32 110.66 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -77.1 -45.59 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 1.79 110.711 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -44.93 -40.91 6.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 1.05 110.709 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 20.6 mt -73.04 -37.83 66.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 1.53 110.611 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.96 -21.96 21.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 1.34 110.438 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -69.5 -43.7 72.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.72 110.479 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.38 -38.03 88.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 2.21 110.536 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.61 -46.74 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 1.24 110.515 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 113' ' ' GLY . 88.0 t -54.99 -37.91 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 1.2 110.548 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.9 m -59.03 -53.73 55.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 1.31 110.618 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.2 mt -47.88 -59.01 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 1.18 110.598 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.7 m -73.54 -12.06 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 1.18 110.624 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -78.93 11.07 29.84 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.907 -0.877 . . . . 0.9 110.907 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.2 m -60.32 138.4 57.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 1.08 110.566 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.0 t -76.12 -30.9 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 1.43 110.546 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -65.55 -61.0 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 2.27 110.567 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -46.79 -40.68 14.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.45 110.535 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -68.24 -43.87 76.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 2.69 110.526 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -62.4 -27.74 69.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.75 110.575 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -68.28 -38.57 81.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.53 110.609 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.41 -49.99 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 1.38 110.585 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.3 mt -72.54 -14.13 61.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 1.57 110.503 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 54.19 95.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.9 110.591 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.967 -1.016 . . . . 5.04 110.434 -179.943 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' HEB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -125.66 148.63 48.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.733 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 18.5 tp -54.64 -34.92 62.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.182 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.694 ' CD1' ' N ' ' A' ' 11' ' ' ALA . 1.2 t80 -51.78 -42.41 62.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.993 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.37 -38.69 90.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -64.03 -53.54 48.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.15 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.6 mt -69.44 -36.69 76.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.803 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.45 6.12 71.22 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.0 95.92 0.2 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.694 ' N ' ' CD1' ' A' ' 5' ' ' TYR . . . -62.61 -37.51 86.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.318 . . . . 0.0 110.7 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.13 -40.83 97.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.491 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.64 78.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.667 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.6 t -63.12 -44.63 99.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.848 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -61.96 -41.91 98.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.961 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.15 -40.15 95.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.716 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.33 -36.86 85.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.009 0.433 . . . . 0.0 110.599 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.9 t -64.39 -39.32 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.961 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -61.7 -39.61 92.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.965 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -63.07 -45.21 93.23 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.281 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -68.0 -43.38 79.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.762 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -57.92 -43.23 86.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.23 -44.52 94.91 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.566 ' HZ2' ' CD ' ' A' ' 97' ' ' GLU . 0.1 OUTLIER -65.07 -39.89 93.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.913 0.387 . . . . 0.0 110.623 179.764 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.49 -44.8 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.245 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -70.7 -30.22 66.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.591 -179.708 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.71 -35.69 73.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.69 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -87.16 113.16 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.367 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.73 -20.98 59.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.001 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -57.13 -41.14 78.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.227 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 m -82.11 -28.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.656 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -56.94 -29.82 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.964 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -53.11 -39.28 63.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.498 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -71.94 -30.63 65.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -87.05 8.27 24.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.32 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.4 t -57.13 -40.8 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.363 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -87.2 5.39 38.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.53 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.5 m -120.99 140.28 52.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.562 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 39' ' ' ASP . 53.0 p30 -79.97 163.24 24.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.785 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -34.33 74.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.8 -57.91 10.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.653 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -62.45 -34.4 76.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.605 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.49 ' O ' ' OE1' ' A' ' 47' ' ' GLN . 7.4 tt0 -55.33 -42.96 74.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -61.86 -37.72 85.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 0.0 110.801 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -59.88 -43.22 94.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.932 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.429 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 55.7 t-80 -64.07 -42.24 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.823 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.609 ' N ' ' OE1' ' A' ' 47' ' ' GLN . 1.0 OUTLIER -59.23 -37.74 78.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.717 -179.84 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.78 -46.83 88.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.827 0.346 . . . . 0.0 110.486 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -66.52 -38.79 87.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -60.46 -50.41 73.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.7 ttt -64.9 -38.58 91.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.4 m -59.03 -43.38 91.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -60.97 -40.36 93.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.595 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.08 80.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.717 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -77.23 -4.16 43.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.654 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.97 7.78 60.91 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.08 68.76 2.27 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.572 ' O ' ' N ' ' A' ' 60' ' ' ARG . 54.1 p -67.14 -25.88 66.39 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.318 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.547 ' OD1' ' CE2' ' A' ' 61' ' ' PHE . 41.6 p30 25.91 39.05 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.471 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.572 ' N ' ' O ' ' A' ' 58' ' ' THR . 77.8 mmt-85 53.36 115.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.606 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.547 ' CE2' ' OD1' ' A' ' 59' ' ' ASP . 26.3 m-85 -127.01 72.29 76.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.539 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.415 ' HG2' ' H ' ' A' ' 63' ' ' GLY . 61.6 Cg_endo -80.26 -68.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.768 2.312 . . . . 0.0 112.166 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.415 ' H ' ' HG2' ' A' ' 62' ' ' PRO . . . 54.06 -131.49 44.83 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 65' ' ' SER . 36.2 ptt-85 -123.67 27.65 7.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.684 0.278 . . . . 0.0 110.388 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 6.2 p 92.3 119.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.34 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.6 mmt -57.95 -34.54 70.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.914 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -57.21 -40.67 77.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.661 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.44 -38.56 81.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.782 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.03 86.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.98 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -93.2 -9.51 39.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.981 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -57.78 -38.28 75.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.787 0.327 . . . . 0.0 110.621 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -57.17 -39.81 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.697 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.474 ' O ' ' O ' ' A' ' 77' ' ' ALA . 75.2 mt -62.51 -39.97 95.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.509 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.4 t -67.04 -42.37 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -64.09 -35.63 81.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.178 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -88.65 -62.28 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.092 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.75 146.89 35.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.802 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.53 113.4 3.81 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 tp -99.35 129.51 45.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.596 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 74.6 p -125.23 168.04 14.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.807 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.588 ' OD2' ' NH2' ' A' ' 118' ' ' ARG . 94.1 m-20 -55.49 -37.7 68.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.705 -179.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 3.4 p -54.58 -39.24 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.594 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.445 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 50.9 m80 -60.25 -44.12 95.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.388 . . . . 0.0 110.451 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -59.9 -44.88 94.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.358 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -64.58 -33.42 75.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.6 -60.09 3.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.401 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.2 tt -63.51 -27.83 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.545 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.54 -42.61 95.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.624 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.75 -34.69 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.631 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -55.52 -39.4 70.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.422 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.9 tp -64.64 -39.91 94.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.526 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.64 -45.24 95.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.678 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.0 mt -64.79 -34.99 79.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.8 m -57.96 -43.22 86.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.623 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.44 -36.06 82.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.538 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.57 -38.09 83.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.696 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.566 ' CD ' ' HZ2' ' A' ' 24' ' ' LYS . 96.6 mt-10 -64.64 -30.7 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.0 mt -81.47 3.27 25.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.581 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 62.24 49.58 4.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.551 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.3 t -105.16 138.59 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.8 t -56.15 140.38 44.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.696 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -58.92 -35.97 73.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.114 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -54.82 -42.7 72.22 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.678 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.5 -36.55 83.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.311 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 79.6 mt -60.89 -40.51 85.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.608 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -58.15 -39.27 78.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -60.58 -39.23 87.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.1 t -66.68 -39.48 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.619 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.8 t -60.58 -40.79 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.74 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.4 m -59.81 -39.53 85.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.954 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.34 -50.4 76.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.915 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 114' ' ' SER . 29.4 m -77.14 -28.15 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 0.0 110.554 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.4 69.91 0.04 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 112' ' ' VAL . 48.7 m -117.45 139.09 51.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.851 0.358 . . . . 0.0 110.453 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 77.2 t -69.45 -41.49 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.183 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.81 -44.65 90.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.246 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -65.43 -46.17 80.99 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.49 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.588 ' NH2' ' OD2' ' A' ' 81' ' ' ASP . 79.6 ttt-85 -59.09 -41.85 89.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.663 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -60.49 -38.43 84.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -60.86 -36.75 79.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.594 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 94.3 t -60.53 -42.87 93.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.75 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 79.0 mt -90.51 -0.36 57.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.72 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 58.5 43.28 19.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.494 179.766 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' HEB . . . . . 0.429 ' ND ' ' CD2' ' A' ' 46' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -114.96 138.14 51.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.325 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.1 tp -52.9 -38.12 61.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.545 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.589 ' O ' ' N ' ' A' ' 9' ' ' GLY . 89.8 m-85 -60.94 -41.11 95.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -70.47 -39.25 74.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -58.93 -47.78 83.85 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.882 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.0 mt -99.93 -9.22 23.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.884 0.373 . . . . 0.0 110.58 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 5' ' ' TYR . . . 75.64 4.83 76.87 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.689 -0.965 . . . . 0.0 110.689 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.65 130.25 1.25 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.57 -25.34 67.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.709 0.29 . . . . 0.0 110.653 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.495 ' O ' ' OD2' ' A' ' 15' ' ' ASP . . . -58.83 -32.92 69.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.414 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.24 -25.55 67.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.752 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 62.6 t -59.86 -41.72 86.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.495 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -60.25 -38.71 84.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.436 -179.439 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.3 tp -62.54 -42.84 99.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.323 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.84 -40.22 72.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.651 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.41 -38.67 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.768 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -56.64 -49.0 76.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.641 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -63.58 -40.13 96.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.567 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -58.72 -40.97 85.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.568 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -56.73 -41.08 76.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.668 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.27 -43.07 93.75 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.524 ' NZ ' ' OE2' ' A' ' 97' ' ' GLU . 3.9 mptp? -62.37 -37.47 85.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.711 0.291 . . . . 0.0 110.522 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.81 -40.66 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.679 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -38.78 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.314 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.02 94.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.362 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -87.77 97.37 10.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.632 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -74.31 -24.9 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.785 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -52.53 -39.79 61.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.788 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.3 m -78.78 -31.16 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 110.62 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -56.71 -30.13 63.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.666 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -53.31 -36.74 61.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.573 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -77.8 -18.35 56.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -97.74 13.08 31.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.037 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.3 m -63.91 -35.72 74.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.721 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -89.08 4.63 47.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.741 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.0 m -124.81 141.83 51.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.598 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 54.5 p30 -81.57 163.18 22.8 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.519 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.4 mtt -62.0 -34.94 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.85 -58.85 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.677 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -62.8 -33.87 76.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.444 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.593 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.4 tt0 -55.44 -40.19 71.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.535 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -59.03 -36.19 74.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.724 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -59.09 -40.53 85.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -60.57 -45.66 93.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.597 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.593 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 1.7 mp0 -61.19 -37.11 81.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.001 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -60.82 -53.03 62.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.363 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -66.26 -39.24 89.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.532 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -59.6 -47.78 84.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.671 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.7 tpt -62.45 -40.82 97.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.663 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.0 m -62.64 -42.05 99.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.641 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -61.02 -36.22 78.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.572 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.93 -30.9 64.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.551 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -90.64 5.91 46.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.667 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 58' ' ' THR . . . 80.36 37.27 21.47 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.17 47.22 0.65 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.447 ' H ' ' C ' ' A' ' 56' ' ' GLY . 69.8 p -64.05 -6.47 6.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.712 0.291 . . . . 0.0 110.518 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -52.81 -36.87 59.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.504 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 61' ' ' PHE . 39.9 ttt85 -95.21 -132.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.245 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 60' ' ' ARG . 12.9 m-85 35.13 72.2 0.75 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 0.0 110.713 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -52.91 -26.93 33.19 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.78 2.32 . . . . 0.0 112.18 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . 148.01 -72.22 0.31 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 63' ' ' GLY . 23.5 mmt180 36.89 -153.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.767 0.318 . . . . 0.0 110.457 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 p -129.01 86.99 2.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.765 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 32.3 mmt -59.73 -36.39 76.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.614 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' GLN . 98.5 mtt180 -59.75 -40.37 87.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.764 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.65 84.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.53 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.61 -33.66 76.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.46 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -98.11 -14.3 20.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.748 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.509 ' O ' ' OE1' ' A' ' 75' ' ' GLU . 63.5 tt0 -58.63 -40.04 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.825 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -56.21 -39.54 72.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.642 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 77' ' ' ALA . 87.7 mt -63.18 -36.38 83.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.18 -49.48 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.891 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' A' ' 71' ' ' GLN . 15.9 mp0 -68.77 -36.75 78.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.915 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -78.82 -61.16 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.635 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.501 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -111.69 161.88 15.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.758 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.45 115.08 4.54 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.6 tp -98.57 131.59 44.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.603 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.585 ' OG1' ' CE1' ' A' ' 83' ' ' HIS . 33.3 p -122.85 161.52 23.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.735 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -59.35 -37.3 77.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.979 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 2.3 p -55.95 -36.83 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.585 ' CE1' ' OG1' ' A' ' 80' ' ' THR . 38.7 m80 -57.29 -44.61 84.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.838 0.351 . . . . 0.0 110.716 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -61.47 -47.27 86.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.404 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -63.9 -33.48 75.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.1 -62.87 1.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -61.94 -30.87 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.46 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.74 90.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.03 -37.8 86.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -58.72 -37.63 76.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.661 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.5 tp -60.6 -39.94 89.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.509 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.74 -43.27 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.695 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.73 -36.21 82.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.703 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.5 m -58.77 -42.01 87.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.559 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.85 -35.6 81.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.594 ' NE2' ' CD1' ' A' ' 105' ' ' ILE . 99.5 mm-40 -59.64 -37.99 80.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.583 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.524 ' OE2' ' NZ ' ' A' ' 24' ' ' LYS . 96.9 mt-10 -64.78 -32.8 74.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.597 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 81.9 mt -77.29 -3.9 42.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.621 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 61.54 49.98 4.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.561 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.4 t -99.4 139.6 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.5 t -55.18 139.93 40.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.658 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -58.89 -35.35 72.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.41 -43.83 75.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.631 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.26 -37.67 80.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.355 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.594 ' CD1' ' NE2' ' A' ' 96' ' ' GLN . 84.3 mt -61.75 -38.92 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.621 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -58.31 -39.93 80.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.428 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.74 -38.28 87.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.511 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.6 t -64.1 -39.69 86.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.598 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 113' ' ' GLY . 79.0 t -60.54 -41.05 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.483 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.7 m -61.07 -43.34 99.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.63 -52.28 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.845 0.355 . . . . 0.0 111.025 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.552 ' C ' ' H ' ' A' ' 114' ' ' SER . 20.1 m -77.57 -22.34 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.423 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -63.46 5.54 0.7 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.552 ' H ' ' C ' ' A' ' 112' ' ' VAL . 50.9 m -57.28 126.07 25.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 110.465 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 71.3 t -69.14 -38.73 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.791 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -56.12 -44.49 79.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.708 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -66.06 -43.47 87.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -57.41 -43.52 83.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.535 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -64.01 -37.58 87.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.711 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.5 m-20 -59.4 -39.14 82.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.9 t -62.8 -42.26 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.605 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 22.1 mt -86.61 -7.66 58.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.579 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 56.7 m-20 59.92 45.16 12.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.699 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.923 -1.036 . . . . 0.0 110.574 179.863 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' HEB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -119.94 145.55 46.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.634 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.8 tp -60.01 -36.91 78.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.674 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -61.35 -37.11 82.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.3 -35.62 77.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.998 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 tptm -59.72 -51.03 71.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.775 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.7 -36.41 73.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 110.721 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.08 5.31 67.99 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.24 111.39 0.47 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.19 -33.2 75.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.685 0.279 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.94 -33.8 74.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.779 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.57 -31.11 72.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.5 t -60.56 -41.88 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.046 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -57.21 -41.41 79.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.849 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.453 ' O ' ' CD ' ' A' ' 20' ' ' LYS . 75.4 mt -65.6 -40.01 92.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.58 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.29 -38.36 81.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.633 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.32 -37.91 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.951 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 19' ' ' GLU . 3.4 tm-20 -55.84 -41.18 73.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.831 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.453 ' CD ' ' O ' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -63.04 -44.89 94.65 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.35 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -68.38 -46.51 69.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.457 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -59.81 -43.12 94.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.726 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.26 -42.09 97.12 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -61.3 -42.06 98.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.367 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.28 -40.81 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.537 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 tp -58.75 -36.57 74.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.389 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.8 88.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -87.15 102.66 14.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.927 0.394 . . . . 0.0 110.659 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -73.13 -25.5 60.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -53.98 -41.63 68.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.701 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.4 m -79.67 -29.12 13.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.837 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -57.77 -31.1 66.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -54.22 -40.09 67.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.876 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -69.52 -33.85 73.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.074 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.486 ' O ' ' O ' ' A' ' 38' ' ' THR . 90.6 m-85 -80.75 3.46 22.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.3 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.1 t -56.9 -43.92 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.286 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -60.07 -33.65 72.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.467 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.486 ' O ' ' O ' ' A' ' 35' ' ' PHE . 33.0 m -96.93 142.61 28.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.671 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 48.5 p30 -71.2 157.36 38.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.431 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.1 mtp -60.76 -35.02 75.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.242 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.25 -58.7 7.23 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.954 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.44 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -61.07 -34.63 75.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.385 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.586 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.3 tt0 -53.68 -39.14 64.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.975 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -57.64 -38.26 74.73 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.52 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.42 -39.17 89.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -59.87 -47.49 85.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.874 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 1.2 mp0 -60.68 -39.3 87.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.526 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -62.33 -47.15 85.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 110.327 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -64.91 -38.56 91.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.569 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -58.26 -45.36 87.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.733 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.3 ttt -61.9 -40.42 95.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.7 m -59.35 -40.43 86.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.901 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.2 -38.22 82.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.705 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.89 -32.07 71.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.009 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -88.31 10.22 20.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.949 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.532 ' C ' ' H ' ' A' ' 58' ' ' THR . . . 83.98 37.21 11.71 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.577 ' O ' ' CE1' ' A' ' 61' ' ' PHE . . . -69.31 40.27 0.35 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.532 ' H ' ' C ' ' A' ' 56' ' ' GLY . 48.2 p -81.86 16.14 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 110.706 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -50.48 -37.49 38.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.801 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -147.46 62.27 1.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.936 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.577 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 44.2 m-85 -127.5 61.57 50.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.403 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -65.84 -19.28 58.78 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.654 2.236 . . . . 0.0 112.396 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.18 42.04 16.29 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.3 tpp85 -53.93 -38.97 65.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.593 0.235 . . . . 0.0 110.732 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.3 p -176.44 44.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.833 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 mmt -59.55 -34.71 73.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.597 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -57.46 -37.55 73.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.677 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.2 79.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.689 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.61 87.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.699 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -94.06 -16.12 24.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.739 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -58.05 -39.01 77.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.534 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -59.2 -38.94 81.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.694 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 77' ' ' ALA . 98.0 mt -60.14 -38.97 84.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.711 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.02 -42.73 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.804 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.64 -36.25 83.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.826 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -90.3 -60.89 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.018 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . -110.16 148.54 31.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.968 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.69 105.95 3.22 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.6 tp -102.61 134.03 46.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.558 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.4 p -120.42 163.38 17.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.588 ' OD2' ' NH2' ' A' ' 118' ' ' ARG . 96.6 m-20 -57.67 -36.62 72.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.982 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 2.9 p -52.99 -37.73 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.826 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.41 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 76.5 m80 -57.79 -41.83 82.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.481 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -58.71 -44.58 90.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.437 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -62.75 -35.73 80.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.823 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.73 -58.76 5.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.337 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.8 tt -62.39 -30.06 48.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.676 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.56 -39.76 94.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.441 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.6 -36.56 81.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.533 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -58.29 -38.26 76.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.91 -39.46 89.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.512 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.54 -42.96 97.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.688 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.1 mt -63.6 -36.35 83.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.773 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.6 m -58.91 -42.07 88.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.737 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.89 -35.51 80.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.597 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -59.7 -36.19 76.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.493 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.8 -31.23 72.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.54 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.9 mt -82.16 1.35 36.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.665 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 61.35 50.31 4.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.924 0.393 . . . . 0.0 110.543 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.5 t -103.01 138.86 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.449 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.2 t -55.07 140.67 37.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.752 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.0 -36.75 75.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.119 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -55.77 -43.11 76.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.825 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.83 -36.97 83.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.31 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.7 -40.0 83.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.582 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.16 -39.78 79.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.549 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.93 -37.07 83.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.339 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.69 -39.42 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.631 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 113' ' ' GLY . 70.1 t -59.61 -41.52 85.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.708 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.6 m -60.48 -41.39 94.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.5 mt -59.37 -50.87 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.923 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.6 m -80.6 -22.55 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.646 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -79.57 78.28 1.78 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.5 m -120.53 141.04 50.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 110.372 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.461 ' CG1' HD22 ' A' ' 119' ' ' ASN . 69.4 t -67.39 -42.16 87.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.008 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -59.57 -44.41 93.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -64.8 -46.96 79.83 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.461 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.588 ' NH2' ' OD2' ' A' ' 81' ' ' ASP . 78.0 ttt-85 -60.48 -43.46 96.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.391 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.461 HD22 ' CG1' ' A' ' 115' ' ' VAL . 86.0 m-20 -62.86 -36.07 82.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.75 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.488 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 91.4 m-20 -58.48 -38.9 78.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.4 t -61.72 -43.65 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.373 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 98.7 mt -65.27 -29.57 70.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.806 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.488 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 78.5 m-20 60.79 44.14 11.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.331 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.544 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' HEB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.9 p -120.52 149.85 41.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.674 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.38 -34.62 75.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.673 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.47 ' CE1' ' N ' ' A' ' 11' ' ' ALA . 4.3 t80 -52.47 -41.81 63.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.491 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.422 ' CD ' ' C ' ' A' ' 6' ' ' GLU . 0.8 OUTLIER -68.35 -31.4 70.76 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.884 -179.62 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -65.15 -54.37 30.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.895 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.3 mt -71.67 -37.04 70.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.963 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.5 5.62 69.15 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.51 106.89 0.42 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.47 ' N ' ' CE1' ' A' ' 5' ' ' TYR . . . -65.59 -39.3 91.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 0.0 110.929 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.5 95.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.96 -30.79 71.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.77 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.7 t -60.95 -41.33 88.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.058 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -58.65 -41.6 86.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.125 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.591 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 2.4 mm? -66.69 -37.88 85.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.82 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.94 -38.31 90.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.716 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.2 t -64.44 -39.8 86.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.771 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.73 -37.11 85.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.912 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -60.49 -42.13 95.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.51 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -65.53 -43.61 89.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.546 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -57.59 -41.47 81.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.752 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.0 -42.29 86.62 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -62.06 -39.87 93.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.404 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.27 -40.45 86.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.604 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.3 tp -57.83 -37.83 74.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.633 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.84 93.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.723 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -90.43 101.8 14.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.964 0.411 . . . . 0.0 110.769 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.68 -27.4 61.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.102 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -54.65 -41.16 69.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.651 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.2 m -78.05 -31.39 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.19 -33.2 69.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -55.88 -39.62 71.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.088 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -69.0 -31.7 70.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.347 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.506 ' O ' ' O ' ' A' ' 38' ' ' THR . 89.0 m-85 -85.42 6.98 24.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.368 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.47 -43.12 82.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.435 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -60.22 -33.58 72.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.506 ' O ' ' O ' ' A' ' 35' ' ' PHE . 49.0 m -99.75 141.89 31.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.858 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.442 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.3 p30 -76.87 167.48 21.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.561 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.2 mtt -61.32 -34.69 75.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.285 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.48 -58.98 6.15 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.044 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -62.58 -31.93 72.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.657 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.579 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.3 tt0 -55.41 -40.96 72.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.709 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -60.08 -38.48 83.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.653 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -59.65 -38.43 81.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.655 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -59.41 -45.59 91.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.795 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.579 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -61.33 -39.22 89.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.694 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -61.17 -49.08 78.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 110.117 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -68.14 -38.07 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.586 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -60.4 -49.08 79.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.052 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 57.4 ttm -62.83 -40.3 97.01 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.701 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.6 m -60.7 -42.39 97.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -62.0 -41.88 98.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.527 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.6 72.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.702 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -75.77 10.11 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.681 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.446 ' C ' ' H ' ' A' ' 58' ' ' THR . . . 92.71 26.21 17.97 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.3 47.84 0.69 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.572 ' C ' ' H ' ' A' ' 60' ' ' ARG . 72.7 p -87.06 25.92 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.564 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.426 ' OD1' ' C ' ' A' ' 59' ' ' ASP . 51.9 p30 -72.54 21.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.278 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.572 ' H ' ' C ' ' A' ' 58' ' ' THR . 60.0 mtp85 61.4 94.26 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.379 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -67.74 154.2 93.82 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.469 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -56.52 -22.2 41.78 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.639 2.226 . . . . 0.0 112.242 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.17 83.83 1.59 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.854 -0.899 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -57.81 -33.62 68.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.629 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 m -101.62 77.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.2 mmt -59.28 -37.2 77.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.413 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.536 ' NH1' ' O ' ' A' ' 124' ' ' ARG . 95.2 mtt180 -60.46 -38.24 83.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.963 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.0 77.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.858 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.42 -36.16 82.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.76 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -100.02 -11.87 20.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.11 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' ARG . 50.1 tt0 -58.03 -40.69 81.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 110.708 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.56 -38.6 85.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.665 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' A' ' 77' ' ' ALA . 67.7 mt -60.72 -39.88 90.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.779 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.73 -41.58 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.23 -35.86 81.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -91.31 -61.38 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.944 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.31 148.55 31.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.867 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.36 108.78 3.46 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.8 tp -102.46 133.17 47.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 0.0 110.67 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.401 ' HG1' ' CE1' ' A' ' 83' ' ' HIS . 69.8 p -121.29 165.42 15.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.702 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -56.89 -37.0 70.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.016 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 3.5 p -52.76 -38.13 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.908 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.411 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 78.4 m80 -58.38 -41.08 84.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.451 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -58.46 -42.86 88.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.515 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.95 -36.75 77.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.76 -59.6 3.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.078 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.4 tt -62.49 -29.99 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.62 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.72 -39.13 93.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.487 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -61.53 -37.58 84.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.468 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.7 -37.56 76.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.558 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.6 tp -60.23 -40.39 90.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.436 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.6 t -63.87 -42.5 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.803 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 75.5 mt -62.24 -36.9 83.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.722 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.9 m -59.71 -41.88 91.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.19 -35.18 79.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.613 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.461 ' NE2' ' CD1' ' A' ' 105' ' ' ILE . 99.6 mm-40 -59.16 -37.35 77.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.894 0.378 . . . . 0.0 110.48 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.35 -31.62 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.553 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 59.4 mt -81.6 -0.81 44.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.664 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 61.15 50.93 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.57 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.1 t -101.78 138.68 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.421 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.6 t -57.29 142.48 43.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.721 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -59.59 -37.04 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.187 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -55.93 -42.93 76.87 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.951 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.31 -36.46 83.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.445 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.461 ' CD1' ' NE2' ' A' ' 96' ' ' GLN . 83.0 mt -60.14 -40.42 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.61 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.16 -40.26 80.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.47 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.09 -36.03 83.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.371 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.34 -39.78 86.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.652 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.584 ' O ' ' N ' ' A' ' 113' ' ' GLY . 75.4 t -60.64 -40.45 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.81 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.5 m -58.91 -41.36 87.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 89.6 mt -58.7 -50.59 78.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.869 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.6 m -84.36 -19.43 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.648 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -76.57 12.57 10.14 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.4 m -59.06 143.7 47.69 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.37 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 69.1 t -67.18 -40.95 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -58.48 -43.47 88.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.19 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -63.29 -45.34 91.88 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.517 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -59.28 -43.16 92.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.408 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -61.95 -36.49 81.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.745 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.489 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.8 m-20 -59.51 -37.61 78.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.815 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.86 -43.9 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.346 . . . . 0.0 110.422 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 88.5 mt -73.35 -18.99 61.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.489 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 86.4 m-20 59.94 44.25 13.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.934 0.397 . . . . 0.0 110.576 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.536 ' O ' ' NH1' ' A' ' 67' ' ' ARG . 61.5 mtp85 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.555 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' HEB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.1 m -120.56 140.43 51.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.749 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.0 tp -69.01 -38.23 79.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.582 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -67.62 -19.72 65.26 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.322 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -56.26 -40.33 74.04 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.264 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -73.47 -52.46 13.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.035 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.91 -36.73 84.9 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.49 12.82 66.49 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.91 111.07 0.53 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.66 -36.58 82.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.38 90.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.05 -38.54 91.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.837 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.74 -44.41 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.74 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -60.52 -40.99 93.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.8 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.79 -41.52 99.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.594 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.7 -43.62 75.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.722 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.17 -41.86 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.02 -47.23 85.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.891 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -64.14 -42.8 96.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.331 . . . . 0.0 110.621 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -63.85 -44.41 93.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.43 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -58.86 -43.01 90.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.896 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.46 -44.13 95.5 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -62.19 -40.86 97.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.832 0.348 . . . . 0.0 110.411 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.0 t -63.2 -41.37 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.731 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.8 tp -58.29 -37.27 74.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.5 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.22 -35.37 78.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -83.59 99.88 10.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.951 0.405 . . . . 0.0 110.755 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.21 -27.25 61.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.052 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 -54.99 -41.5 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.567 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.7 m -78.88 -30.46 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -57.7 -32.06 67.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -54.4 -39.67 67.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.192 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -67.64 -31.42 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.291 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -84.19 7.32 19.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.199 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.2 t -58.52 -39.73 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.483 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -84.57 4.7 30.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.6 m -120.92 141.75 50.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.379 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 23.2 p-10 -77.06 163.19 26.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.019 0.437 . . . . 0.0 111.015 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 98.7 mmm -61.46 -34.9 76.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.319 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.32 -56.64 14.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.464 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.434 ' CG ' ' OD1' ' A' ' 39' ' ' ASP . 62.1 mmtt -61.43 -34.56 75.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.982 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.592 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.2 tt0 -55.39 -44.08 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.791 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -61.69 -37.07 82.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.625 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.61 -40.25 91.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -59.69 -44.62 93.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.619 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.592 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -60.56 -36.7 79.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.73 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -59.57 -48.61 80.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.185 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -66.93 -39.64 87.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.45 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.01 -46.05 90.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.889 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.7 tpt -61.63 -39.74 92.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.7 m -60.21 -40.11 88.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.781 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -59.85 -37.8 80.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.713 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.02 -31.1 69.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -92.39 13.32 19.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.591 ' C ' ' H ' ' A' ' 58' ' ' THR . . . 84.55 37.03 11.08 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 59' ' ' ASP . . . -68.38 15.85 0.56 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.591 ' H ' ' C ' ' A' ' 56' ' ' GLY . 46.2 p -63.89 -1.13 1.29 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.762 0.315 . . . . 0.0 110.695 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.447 ' H ' ' C ' ' A' ' 57' ' ' GLY . 22.1 t70 -50.26 -37.5 36.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.002 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -128.88 68.9 1.39 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.829 0.347 . . . . 0.0 110.813 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -140.21 60.72 15.3 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.774 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -63.48 -19.4 67.78 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.569 2.179 . . . . 0.0 112.254 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.65 40.19 19.04 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.448 ' C ' ' OG ' ' A' ' 65' ' ' SER . 40.0 ttm180 -54.1 -39.87 66.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.677 0.275 . . . . 0.0 110.725 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.448 ' OG ' ' C ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -173.16 36.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.718 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.4 mmt -58.19 -37.9 75.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.547 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.3 -37.05 81.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.485 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.55 -34.9 79.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.5 -37.91 87.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.842 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -93.61 -15.84 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.755 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -58.67 -39.01 79.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.752 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -58.47 -39.85 81.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.749 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.484 ' O ' ' O ' ' A' ' 77' ' ' ALA . 73.9 mt -62.67 -38.6 90.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.737 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.3 -42.28 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.68 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -64.17 -36.11 82.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -89.28 -61.37 1.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.484 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.28 148.99 30.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.27 101.98 2.66 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.569 -1.013 . . . . 0.0 110.569 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.6 tp -103.19 133.07 48.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 110.44 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 28.0 p -122.09 167.7 12.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.666 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.611 ' CB ' HH21 ' A' ' 118' ' ' ARG . 95.7 m-20 -53.63 -34.34 58.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.544 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 3.7 p -49.07 -38.25 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.677 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.422 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 77.5 m80 -58.24 -43.92 88.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.883 0.373 . . . . 0.0 110.291 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -60.2 -44.43 95.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.386 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.49 -36.85 79.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.782 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.18 -59.46 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -62.97 -32.56 56.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.569 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.95 -41.7 86.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.433 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.06 -36.67 82.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.454 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -57.44 -38.5 74.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.518 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.27 -40.03 92.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.22 -44.11 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.746 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.8 mt -63.41 -34.91 78.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.721 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.8 m -57.42 -41.59 80.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.681 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.5 mt -62.93 -36.63 84.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.559 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.45 -36.92 79.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.446 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.98 -32.48 73.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.287 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 84.4 mt -79.48 -2.57 42.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.532 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.2 t30 61.04 49.68 5.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.163 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.3 t -100.63 139.7 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.457 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.8 t -52.11 139.62 22.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.608 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -59.08 -35.97 74.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.092 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -54.94 -42.73 72.66 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.763 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.82 -37.52 84.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 110.243 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 79.7 mt -62.19 -38.61 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.615 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -57.97 -39.87 79.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.571 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.67 -37.84 85.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.28 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.12 -39.13 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.547 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.09 -40.76 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.83 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 48.5 m -59.95 -41.33 91.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.052 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 93.1 mt -57.44 -49.31 80.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.779 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.3 m -80.83 -17.75 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.992 0.425 . . . . 0.0 110.397 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 114' ' ' SER . . . -54.33 -25.47 33.62 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' GLY . 72.2 m -38.62 112.72 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.922 0.391 . . . . 0.0 110.634 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.89 -35.8 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.049 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -50.75 -41.79 56.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -62.49 -43.49 98.68 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.211 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.611 HH21 ' CB ' ' A' ' 81' ' ' ASP . 74.2 ttt180 -59.0 -40.49 85.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.496 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -59.3 -36.73 76.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.836 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.495 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.8 m-20 -59.34 -38.74 81.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.689 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.42 -44.03 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 0.0 110.457 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.461 ' CD2' ' OD1' ' A' ' 81' ' ' ASP . 95.8 mt -66.22 -30.81 71.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.882 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.495 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 81.4 m-20 60.22 44.36 12.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.622 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.528 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' HEB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 t -120.88 143.82 48.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.651 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.8 tp -56.28 -37.86 70.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.468 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 10' ' ' GLY . 94.2 m-85 -61.87 -40.22 94.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.602 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.95 -38.05 89.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.748 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -59.89 -34.56 73.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.73 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.5 mt -87.41 6.36 34.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.828 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.19 16.71 36.98 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' TYR . . . 98.48 169.36 31.53 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.04 -34.86 78.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.637 0.256 . . . . 0.0 110.974 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.29 -43.96 97.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.561 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.21 -31.65 71.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.563 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.3 t -62.0 -38.84 81.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.907 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -55.71 -41.05 73.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.539 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.434 ' CD1' ' N ' ' A' ' 16' ' ' LEU . 7.1 mp -67.14 -40.85 86.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.605 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.5 -42.61 78.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.681 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.8 t -64.0 -39.95 87.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.19 -40.34 81.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.737 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -62.29 -44.45 96.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 110.666 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -68.05 -46.89 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -60.92 -41.8 96.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.811 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.1 -45.88 92.07 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.4 ' HZ3' ' HB2' ' A' ' 93' ' ' LEU . 12.6 ttmt -61.82 -39.24 91.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.385 . . . . 0.0 110.453 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.8 -41.03 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.464 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.5 tp -59.23 -36.35 75.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.377 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.86 -36.69 79.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -84.45 103.94 14.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.964 0.411 . . . . 0.0 110.777 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -72.84 -27.87 62.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -53.58 -41.77 66.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.505 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.9 m -77.88 -31.5 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.608 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -57.19 -30.87 64.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 72.1 mtp85 -53.73 -39.98 65.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.927 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -70.25 -29.74 66.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.199 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 38' ' ' THR . 96.2 m-85 -88.47 9.3 24.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.304 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.2 t -56.77 -39.65 65.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.513 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -84.41 3.94 33.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.488 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' PHE . 53.8 m -123.73 139.74 53.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 53.2 p30 -78.79 165.79 23.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 110.578 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.4 mtt -61.05 -35.81 77.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.403 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.1 -55.86 27.6 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.033 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -62.16 -35.5 78.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.608 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.4 tt0 -57.11 -44.98 83.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.841 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -60.86 -35.66 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.341 . . . . 0.0 110.729 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -59.5 -41.31 89.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.796 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.507 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 48.1 t-80 -61.34 -44.44 97.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.9 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.608 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.5 OUTLIER -59.66 -38.24 80.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.696 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -60.48 -46.94 88.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.953 0.406 . . . . 0.0 110.092 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -66.41 -40.23 89.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.385 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.09 -46.04 92.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.562 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.8 ttt -60.77 -40.65 93.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.778 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.2 m -62.01 -39.65 92.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -60.37 -38.02 82.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.07 -31.25 68.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.921 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -89.69 11.32 20.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.729 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 58' ' ' THR . . . 87.92 24.51 34.9 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.87 40.24 0.31 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.506 ' H ' ' C ' ' A' ' 56' ' ' GLY . 48.0 p -62.64 -23.99 67.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.986 0.422 . . . . 0.0 110.077 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' C ' ' H ' ' A' ' 61' ' ' PHE . 89.7 m-20 -68.22 164.61 20.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.501 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.24 -4.43 1.81 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.402 ' H ' ' C ' ' A' ' 59' ' ' ASP . 15.4 m-85 -128.24 61.99 56.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.226 179.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -71.55 146.28 49.17 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.898 2.399 . . . . 0.0 112.476 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.89 -169.51 48.59 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.569 ' C ' ' H ' ' A' ' 66' ' ' MET . 4.8 ptp85 -120.23 -105.85 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.448 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.9 t 51.68 6.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.557 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.569 ' H ' ' C ' ' A' ' 64' ' ' ARG . 23.3 mmt -59.53 -35.02 73.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.377 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 71' ' ' GLN . 77.6 mtt85 -57.79 -36.99 72.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.9 85.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.68 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.78 85.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.609 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -93.33 -14.73 26.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' ARG . 41.5 tt0 -57.8 -37.83 74.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -55.8 -40.13 72.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.496 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' A' ' 77' ' ' ALA . 93.1 mt -63.46 -38.36 90.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.406 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.25 -40.29 88.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.957 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -62.48 -36.11 81.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.963 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -92.77 -61.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.981 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.44 146.06 36.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.822 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -83.91 113.93 3.81 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.4 tp -103.68 131.27 51.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.752 0.31 . . . . 0.0 110.675 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.476 ' HG1' ' CE1' ' A' ' 83' ' ' HIS . 51.0 p -121.39 166.5 14.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.722 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.553 ' CG ' ' HE ' ' A' ' 118' ' ' ARG . 95.2 m-20 -56.77 -36.62 70.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.877 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 2.6 p -51.62 -40.14 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.543 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.476 ' CE1' ' HG1' ' A' ' 80' ' ' THR . 77.3 m80 -59.14 -41.33 88.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.959 0.409 . . . . 0.0 110.264 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.05 -44.58 87.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.542 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -63.28 -33.99 76.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.941 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.0 -61.3 2.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.42 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.2 tt -62.82 -31.5 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.551 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.38 -41.8 84.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.553 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.65 -36.94 82.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.535 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.42 -37.77 76.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.622 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.2 tp -61.28 -39.36 90.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.441 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.3 t -62.94 -43.61 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.8 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.4 ' HB2' ' HZ3' ' A' ' 24' ' ' LYS . 74.2 mt -63.49 -36.63 84.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.732 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.2 m -59.11 -41.95 89.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.852 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.8 mt -63.03 -36.02 82.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -59.99 -36.73 77.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.495 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.59 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.499 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.2 mt -81.03 0.87 33.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.7 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 47.6 t30 61.92 49.93 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.562 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.2 t -103.14 138.37 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.0 t -54.31 140.78 32.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.588 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -58.46 -36.87 74.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.1 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -55.84 -42.75 76.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.815 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.21 -37.53 83.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.398 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.4 mt -61.73 -39.8 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.646 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -58.31 -38.75 77.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.801 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.16 -36.99 85.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.578 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.78 -41.24 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.507 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 113' ' ' GLY . 75.9 t -62.23 -40.42 87.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.678 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.5 m -58.21 -40.44 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.5 mt -57.03 -50.78 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.612 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.08 -21.97 8.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.481 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -73.28 64.59 1.68 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.0 m -116.37 140.72 49.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.837 0.351 . . . . 0.0 110.405 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.463 ' CG1' HD22 ' A' ' 119' ' ' ASN . 69.5 t -66.87 -41.23 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.056 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.64 -43.89 89.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.144 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -63.8 -47.39 81.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.375 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.553 ' HE ' ' CG ' ' A' ' 81' ' ' ASP . 73.9 ttt180 -61.25 -42.09 98.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.603 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.463 HD22 ' CG1' ' A' ' 115' ' ' VAL . 86.9 m-20 -60.52 -36.1 77.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.496 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 91.1 m-20 -59.13 -39.02 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.68 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.9 t -63.29 -44.07 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.482 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.454 ' CD2' ' OD1' ' A' ' 81' ' ' ASP . 89.7 mt -65.41 -31.67 72.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.496 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 83.3 m-20 59.28 43.56 16.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.173 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.531 -179.943 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' HEB . . . . . 0.507 ' ND ' ' CD2' ' A' ' 46' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -120.05 147.8 44.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.619 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 44.5 tp -57.95 -36.08 72.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.636 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -59.14 -40.41 85.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.811 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.44 -37.75 85.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.035 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -64.26 -54.38 34.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.92 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.0 mt -71.65 -37.82 70.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.742 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.23 8.74 74.44 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.36 124.05 1.2 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.92 -35.33 80.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.719 0.295 . . . . 0.0 110.798 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.06 -33.61 74.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.497 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.76 -29.68 70.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.757 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.3 t -59.61 -44.99 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.765 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.06 -41.07 97.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.797 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.33 -40.83 98.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.69 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.8 79.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.684 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.09 -39.92 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.45 -38.75 78.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.852 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -61.14 -42.85 99.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.852 0.358 . . . . 0.0 110.479 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -65.63 -43.91 88.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.67 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -58.09 -41.37 83.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.83 -45.84 90.93 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' HZ1' ' CB ' ' A' ' 93' ' ' LEU . 56.9 mttt -62.82 -37.35 86.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.523 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.9 t -62.53 -42.61 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.536 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.6 tp -59.98 -37.52 79.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.501 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.81 84.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -85.21 103.11 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 110.76 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.17 -27.04 61.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 -53.97 -41.92 68.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.456 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.4 m -79.97 -29.92 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.78 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -57.69 -31.0 65.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.022 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.442 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 84.6 mtm180 -54.18 -39.27 66.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.898 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -70.5 -29.6 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.321 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -88.02 10.48 18.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.586 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.442 ' CG1' ' O ' ' A' ' 33' ' ' ARG . 32.9 m -63.01 -34.1 64.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.497 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -86.61 4.15 41.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.4 m -124.49 140.95 52.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.477 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 42' ' ' LYS . 48.2 p30 -75.21 160.43 30.4 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.465 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mtp -61.44 -36.3 79.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.55 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.85 -57.06 12.15 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.086 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.464 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 78.9 tttt -60.81 -34.36 74.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.915 0.388 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.589 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.3 tt0 -54.77 -41.24 70.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.894 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -59.24 -36.43 75.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.94 0.4 . . . . 0.0 110.604 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -59.42 -40.31 86.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.764 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -60.73 -46.39 90.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -61.29 -37.54 83.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.686 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -60.07 -48.62 80.94 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.289 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -66.74 -39.1 87.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.413 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.92 -48.47 81.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.831 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.2 ttt -63.11 -40.46 97.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.786 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.5 m -61.92 -39.67 92.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.641 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -59.46 -36.55 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.807 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.93 -29.89 63.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.717 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -91.68 7.25 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.761 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.599 ' O ' ' N ' ' A' ' 58' ' ' THR . . . 89.95 18.84 49.45 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.498 ' O ' ' CE1' ' A' ' 61' ' ' PHE . . . -56.88 73.15 0.01 OUTLIER Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.599 ' N ' ' O ' ' A' ' 56' ' ' GLY . 60.6 p -106.23 18.08 22.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.765 0.317 . . . . 0.0 110.513 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.88 -38.79 67.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.033 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.0 mtm-85 -146.82 83.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.498 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 12.9 m-85 -134.98 79.26 51.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.687 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -53.06 140.05 60.67 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.709 2.272 . . . . 0.0 112.116 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -89.27 -174.52 46.32 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER 34.83 77.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.685 0.278 . . . . 0.0 110.797 179.832 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 p 168.09 -35.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.656 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.6 mmt -59.38 -37.01 76.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.807 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.568 ' NH2' ' OD1' ' A' ' 120' ' ' ASP . 78.8 mtt85 -59.59 -38.95 82.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.701 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.68 83.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.689 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.56 83.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.715 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -95.43 -17.1 21.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' ARG . 1.7 tt0 -58.75 -38.92 79.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.788 0.328 . . . . 0.0 110.637 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.57 -38.95 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.613 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.48 ' O ' ' O ' ' A' ' 77' ' ' ALA . 76.1 mt -60.47 -40.61 91.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.69 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.74 -42.63 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.83 -35.73 82.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -89.75 -60.96 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.944 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.48 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -108.16 146.32 32.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.773 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.0 120.81 5.31 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.6 tp -104.31 132.44 50.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.589 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.732 ' HG1' ' CE1' ' A' ' 83' ' ' HIS . 62.3 p -120.0 162.09 19.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.609 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -58.81 -38.72 79.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.831 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 p -57.26 -37.69 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.98 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.732 ' CE1' ' HG1' ' A' ' 80' ' ' THR . 38.8 m80 -58.2 -44.95 88.37 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.638 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -61.14 -45.56 94.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.994 0.426 . . . . 0.0 110.275 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -64.52 -34.05 77.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.98 -60.18 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.452 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.0 tt -62.91 -26.51 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.645 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.69 -40.7 95.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.69 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.14 -36.01 82.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.638 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -56.86 -38.65 73.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.413 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.6 tp -62.51 -39.64 94.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.429 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.99 -43.28 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.755 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.411 ' CB ' ' HZ1' ' A' ' 24' ' ' LYS . 80.9 mt -62.31 -36.19 81.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.755 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.7 m -58.05 -42.31 85.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.603 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 73.7 mt -64.74 -35.24 80.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.654 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.611 ' NE2' ' CD1' ' A' ' 105' ' ' ILE . 99.5 mm-40 -59.66 -37.89 79.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.494 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.31 -31.77 73.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.513 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.5 mt -80.26 -2.03 43.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.63 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 60.56 50.25 5.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.52 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.0 t -101.57 139.28 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.472 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.5 t -54.03 140.51 31.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.643 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.518 HE22 ' NE2' ' A' ' 96' ' ' GLN . 1.8 tp-100 -59.21 -36.33 75.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.091 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -55.28 -42.8 74.05 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.862 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.05 -37.14 83.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.356 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.611 ' CD1' ' NE2' ' A' ' 96' ' ' GLN . 84.0 mt -61.14 -39.93 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.708 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.27 -39.85 80.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.509 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.44 -37.4 85.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.559 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.14 -39.38 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.669 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.579 ' O ' ' N ' ' A' ' 113' ' ' GLY . 73.8 t -59.68 -40.85 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.685 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.6 m -59.04 -41.19 87.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.4 mt -59.25 -51.44 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.811 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.426 ' C ' ' H ' ' A' ' 114' ' ' SER . 18.7 m -82.93 -19.69 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.557 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -74.06 13.35 4.52 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 112' ' ' VAL . 54.0 m -58.33 135.14 57.11 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.364 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 73.3 t -69.48 -40.93 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -57.56 -43.89 84.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.147 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -63.8 -45.6 88.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.486 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -58.7 -42.79 89.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.43 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 123' ' ' ASN . 86.7 m-20 -61.25 -39.7 91.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.515 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.568 ' OD1' ' NH2' ' A' ' 67' ' ' ARG . 89.5 m-20 -63.81 -43.33 96.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.769 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.99 -44.75 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.656 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 67.5 mt -81.67 -12.55 58.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.612 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.496 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 84.0 m-20 58.09 43.47 20.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.232 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 123' ' ' ASN . 82.1 mtm180 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.623 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' HEB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.417 ' H3 ' ' H ' ' A' ' 3' ' ' SER . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.417 ' H ' ' H3 ' ' A' ' 2' ' ' ALA . 88.3 p -124.64 156.03 38.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.545 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.3 tp -55.49 -40.93 72.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.388 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 9' ' ' GLY . 63.8 t80 -61.59 -43.58 98.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.698 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -65.45 -33.91 77.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.31 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -57.89 -54.47 46.52 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.879 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.1 mt -92.27 -34.12 14.37 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.605 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 5' ' ' TYR . . . 90.25 8.26 66.65 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.34 109.47 0.43 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.47 -37.78 87.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.791 0.329 . . . . 0.0 110.775 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.94 -42.68 97.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.803 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.35 -34.58 78.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.402 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.2 t -61.84 -40.85 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.563 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.27 -39.97 80.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.196 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.45 -43.19 83.75 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.775 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.62 -36.87 83.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.91 0.386 . . . . 0.0 110.552 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.53 -41.37 92.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.15 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.12 -38.84 90.48 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.985 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -61.61 -41.65 97.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.891 0.377 . . . . 0.0 110.389 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -65.36 -43.79 89.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.798 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -58.11 -43.15 86.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.43 -44.68 96.47 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -62.11 -38.83 90.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.937 0.398 . . . . 0.0 110.514 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.73 -40.26 84.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.698 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.48 -35.26 73.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.433 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.67 81.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.82 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -84.78 103.92 14.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.973 0.416 . . . . 0.0 110.757 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -72.79 -28.66 62.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.289 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -54.05 -42.03 68.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.47 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.5 m -80.07 -31.1 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.742 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -56.93 -31.57 65.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.988 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -54.76 -40.15 69.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.919 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -70.92 -29.32 65.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.204 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.486 ' O ' ' O ' ' A' ' 38' ' ' THR . 89.7 m-85 -88.1 5.47 40.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.51 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 51.3 t -57.95 -44.52 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.372 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -61.16 -34.48 75.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.486 ' O ' ' O ' ' A' ' 35' ' ' PHE . 58.9 m -94.91 141.7 28.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.774 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 50.2 p30 -72.86 162.44 29.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.555 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.3 mtt -61.04 -34.9 75.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.356 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.02 -57.03 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.971 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -62.11 -33.81 75.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.48 ' O ' ' OE1' ' A' ' 47' ' ' GLN . 7.3 tt0 -54.79 -39.88 68.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -59.45 -39.68 84.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.579 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -61.92 -40.7 96.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.739 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.454 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 54.8 t-80 -61.13 -45.41 94.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.614 ' N ' ' OE1' ' A' ' 47' ' ' GLN . 2.4 mp0 -61.02 -37.66 83.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.473 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -60.71 -47.8 84.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.374 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.24 -40.68 90.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.451 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -61.32 -45.99 92.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.684 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.0 tpt -61.21 -39.6 90.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.733 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.3 m -61.77 -40.26 94.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.763 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -59.75 -36.48 76.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.688 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.79 -29.67 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.671 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -89.12 7.68 33.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.857 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.605 ' O ' ' N ' ' A' ' 58' ' ' THR . . . 94.67 19.19 32.69 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.451 ' O ' ' CE1' ' A' ' 61' ' ' PHE . . . -54.02 76.41 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.605 ' N ' ' O ' ' A' ' 56' ' ' GLY . 53.0 p -107.88 27.03 9.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.751 0.31 . . . . 0.0 110.527 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -52.69 -37.6 59.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.722 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.1 ttp180 -168.86 80.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.451 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 52.9 m-85 -129.95 75.76 79.08 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.491 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -55.09 -35.11 89.72 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.681 2.254 . . . . 0.0 112.085 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.82 6.76 82.24 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.8 mmm-85 -97.66 -68.78 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.732 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.3 m -58.67 -33.02 69.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.476 ' SD ' ' CMA' ' A' ' 125' ' ' HEB . 23.8 mmt -56.83 -36.55 70.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.794 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -59.46 -37.48 78.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.676 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.42 84.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.62 -37.52 87.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.657 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -88.87 -18.66 27.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.549 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -58.78 -37.27 75.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -56.95 -40.57 76.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.745 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.58 ' O ' ' N ' ' A' ' 77' ' ' ALA . 75.0 mt -63.73 -37.29 86.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.565 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.54 -37.97 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.0 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -59.94 -37.82 80.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.966 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -111.89 -61.16 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.374 . . . . 0.0 110.92 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . -74.73 147.15 41.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -101.11 86.78 0.63 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.8 tp -100.27 130.55 46.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 110.517 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.9 p -124.08 169.3 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.543 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.495 ' OD1' ' CD2' ' A' ' 122' ' ' LEU . 95.5 m-20 -53.56 -36.33 61.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.657 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 2.4 p -53.43 -39.64 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.934 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.455 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 74.4 m80 -58.33 -41.69 85.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.497 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -57.66 -43.43 84.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.256 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.82 -35.22 79.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.798 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.75 -61.16 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.281 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.5 tt -62.84 -26.18 40.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.685 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.2 99.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.687 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.01 -36.4 84.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.712 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -58.77 -38.14 77.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.446 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.78 -39.53 91.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.373 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.3 t -63.76 -44.08 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.614 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.3 mt -63.42 -36.11 82.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.674 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.6 m -58.67 -42.08 87.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.17 -35.61 81.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.593 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -59.47 -36.89 76.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.481 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.66 -31.59 72.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.463 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 59.0 mt -80.91 -0.77 40.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.705 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 61.05 50.38 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.534 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 44.0 t -102.41 139.55 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.457 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.4 t -54.36 141.5 30.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.815 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -59.3 -35.12 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.137 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.12 -41.9 68.88 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.742 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 78.4 mt -65.56 -37.24 86.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.237 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 82.4 mt -61.26 -38.93 80.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.683 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -58.02 -40.66 81.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.492 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.55 -36.93 85.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.436 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.16 -39.19 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.673 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.573 ' O ' ' N ' ' A' ' 113' ' ' GLY . 73.2 t -59.69 -41.26 84.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.1 m -59.86 -41.54 91.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.8 mt -59.91 -51.48 72.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.811 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 20.7 m -82.21 -20.59 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.637 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -76.41 9.97 18.77 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.7 m -59.64 135.54 57.71 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.395 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 72.9 t -70.07 -40.51 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.135 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -57.56 -43.08 84.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -62.38 -44.99 95.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.375 . . . . 0.0 110.537 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -58.66 -41.07 85.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.481 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -60.51 -36.25 77.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.933 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.486 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.3 m-20 -58.48 -38.42 77.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.837 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.16 -43.55 96.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.977 0.418 . . . . 0.0 110.511 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.495 ' CD2' ' OD1' ' A' ' 81' ' ' ASP . 90.4 mt -65.96 -26.64 67.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.801 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.486 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 78.7 m-20 61.49 44.71 9.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.55 -179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.397 179.871 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' HEB . . . . . 0.476 ' CMA' ' SD ' ' A' ' 66' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.431 ' H2 ' ' H ' ' A' ' 3' ' ' SER . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.431 ' H ' ' H2 ' ' A' ' 2' ' ' ALA . 50.6 m -119.32 148.51 43.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.0 tp -57.07 -37.84 72.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.686 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -62.25 -41.93 98.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.93 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.62 -34.32 77.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.266 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -58.4 -48.07 81.83 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.639 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.2 mt -71.0 -31.44 67.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.549 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.4 2.49 57.75 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.0 115.51 0.59 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.02 -34.41 77.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.672 0.272 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.43 -30.75 71.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.597 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.43 -29.53 70.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -58.43 -44.87 89.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.866 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -60.66 -43.37 97.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.786 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.588 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 2.3 mm? -68.94 -38.57 79.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.798 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.74 96.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.697 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.1 t -64.9 -39.71 86.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.651 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.05 -39.94 87.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.988 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -61.09 -44.02 97.99 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.645 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.22 -43.67 86.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.201 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -59.5 -41.62 90.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.61 -41.59 82.35 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -61.13 -38.65 87.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.429 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.51 -42.55 95.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.614 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.38 -37.58 81.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.52 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.66 91.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.991 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -87.59 106.0 17.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.034 0.445 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -72.83 -27.32 61.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.123 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.5 mtm-85 -55.04 -42.1 72.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.764 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.8 m -78.56 -30.93 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -56.95 -33.52 67.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.463 ' O ' ' CG1' ' A' ' 36' ' ' VAL . 83.6 mtp180 -56.31 -38.24 71.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.143 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -69.66 -31.09 68.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.45 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -85.01 9.82 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.381 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' A' ' 33' ' ' ARG . 33.9 m -64.53 -32.55 58.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.46 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -84.26 0.63 48.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.388 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.0 m -126.49 141.27 51.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.321 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 23.9 p-10 -73.13 159.27 33.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.57 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 68.8 mtm -59.89 -34.34 73.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.127 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.49 -58.13 9.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.061 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -62.43 -33.76 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 110.622 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.591 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.3 tt0 -54.2 -41.79 69.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.82 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -59.57 -37.0 77.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.692 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -59.11 -39.24 81.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.845 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.443 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 47.9 t-80 -59.94 -45.06 93.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.591 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.4 OUTLIER -59.04 -38.84 80.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.41 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' O ' ' OG1' ' A' ' 52' ' ' THR . 51.4 tttm -62.73 -48.06 80.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.387 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.43 -41.05 89.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.797 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -61.86 -51.15 69.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.76 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.3 ttp -62.42 -37.81 87.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.294 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 48' ' ' LYS . 51.9 m -62.17 -37.92 87.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.639 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -57.52 -37.61 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.966 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.05 -33.08 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.871 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -76.28 -5.4 46.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.596 ' O ' ' N ' ' A' ' 58' ' ' THR . . . 96.5 10.34 55.73 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.25 77.68 0.01 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 56' ' ' GLY . 71.7 p -103.38 16.4 26.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.59 0.233 . . . . 0.0 110.989 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -53.43 -38.26 63.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.278 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -159.57 82.56 0.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.294 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.521 ' H ' ' HD2' ' A' ' 62' ' ' PRO . 10.4 m-85 -135.26 -63.65 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.516 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.521 ' HD2' ' H ' ' A' ' 61' ' ' PHE . 3.7 Cg_endo -49.63 -13.91 0.59 Allowed 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.946 1.764 . . . . 0.0 111.58 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 61' ' ' PHE . . . -83.72 -172.81 49.24 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.559 -1.017 . . . . 0.0 110.559 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' SER . 94.1 mtt-85 50.17 23.22 1.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.746 0.308 . . . . 0.0 110.285 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' ARG . 2.0 m 34.81 88.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.799 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.1 mmt -59.82 -34.46 73.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.507 ' NH2' ' OD1' ' A' ' 120' ' ' ASP . 77.9 mtt85 -55.74 -39.51 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.791 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.2 90.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.37 80.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -92.01 -17.98 24.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.785 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -59.92 -38.98 83.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.682 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -57.84 -39.44 77.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' A' ' 77' ' ' ALA . 68.9 mt -62.57 -39.71 94.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.613 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.0 t -65.37 -41.91 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.89 -36.41 83.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.856 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -89.08 -61.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.489 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.4 146.61 35.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.705 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.86 126.65 8.07 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 36.2 tp -104.59 132.71 50.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 0.0 110.679 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.554 ' OG1' ' ND1' ' A' ' 83' ' ' HIS . 72.6 p -120.86 161.43 21.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.535 ' CG ' ' NH2' ' A' ' 118' ' ' ARG . 82.9 m-20 -60.53 -36.89 79.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.003 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.7 p -52.77 -36.96 24.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.0 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.554 ' ND1' ' OG1' ' A' ' 80' ' ' THR . 78.7 m80 -57.47 -45.06 85.24 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.516 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -62.79 -45.04 94.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.28 -37.52 80.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.963 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.13 -59.01 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.133 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.2 tt -62.88 -32.69 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.768 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.85 -43.93 74.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.626 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.63 -37.33 85.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.713 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.09 -38.05 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.735 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.73 -39.96 93.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.677 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.88 -43.35 97.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.581 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.2 mt -64.16 -36.59 84.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.756 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.2 m -58.85 -42.57 89.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.798 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.67 -36.14 82.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.529 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.5 -37.05 79.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.494 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.86 -31.26 72.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.499 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.9 mt -81.3 0.35 37.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.696 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 61.89 51.06 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.574 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.7 t -100.9 138.5 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.432 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.7 t -54.76 140.03 37.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.678 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -59.13 -36.69 75.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.206 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.31 -42.92 74.35 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.683 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.31 -37.23 83.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 110.312 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.5 -39.1 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.753 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -57.9 -41.51 82.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.23 -37.87 86.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.4 . . . . 0.0 110.364 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.77 -39.38 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.684 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.567 ' O ' ' N ' ' A' ' 113' ' ' GLY . 79.5 t -60.1 -41.62 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.789 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.6 m -60.36 -41.27 93.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.768 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.4 mt -59.31 -52.0 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.919 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.8 m -81.64 -23.2 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.627 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -87.28 12.62 62.08 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.9 m -58.93 143.78 46.85 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.424 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 71.3 t -67.05 -41.8 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.8 -44.42 93.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.184 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -65.27 -46.93 78.49 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.677 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.535 ' NH2' ' CG ' ' A' ' 81' ' ' ASP . 75.5 ttt-85 -58.95 -43.57 91.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.457 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -63.37 -37.17 86.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.674 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.507 ' OD1' ' NH2' ' A' ' 67' ' ' ARG . 89.8 m-20 -59.47 -39.27 83.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.705 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.37 -42.65 96.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.359 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 78.7 mt -81.25 -11.7 59.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.579 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 59.14 40.39 21.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.292 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.484 179.92 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' HEB . . . . . 0.443 ' ND ' ' CD2' ' A' ' 46' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -130.18 158.6 39.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.543 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.9 tp -56.23 -36.52 68.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.561 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -60.23 -39.64 87.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.047 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.11 -36.98 84.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.368 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -63.27 -54.11 42.29 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.943 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.5 mt -70.41 -37.73 74.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.772 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.91 15.13 75.92 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.52 110.19 0.4 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.06 -34.31 78.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.59 -35.53 78.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.604 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.46 -31.55 72.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.79 -43.72 95.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.836 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -59.55 -41.25 89.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.5 tp -63.59 -42.52 98.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.662 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.59 -40.69 73.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.785 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.1 t -64.51 -40.05 87.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.087 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -59.49 -41.46 89.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.895 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -62.82 -43.32 99.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.592 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -64.17 -42.77 96.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.946 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -57.97 -42.08 84.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.764 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.88 -45.1 94.01 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -61.99 -40.59 96.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.87 0.366 . . . . 0.0 110.213 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.02 -41.17 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.4 tp -58.57 -36.64 74.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.388 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.0 76.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.934 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -83.87 103.22 12.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.997 0.427 . . . . 0.0 110.793 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -72.14 -28.5 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.177 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -53.77 -41.84 67.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.827 -178.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.3 m -79.2 -30.55 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -57.25 -31.67 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 72.9 mtp85 -53.77 -40.43 66.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.082 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -69.27 -32.18 71.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.204 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -86.01 9.33 17.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.407 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.5 t -57.31 -38.47 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.435 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -85.47 6.13 28.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.43 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.4 m -120.48 141.64 50.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.433 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 42' ' ' LYS . 50.6 p30 -76.6 162.67 27.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.744 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.7 mtt -61.76 -35.66 78.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.314 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.49 -58.51 7.34 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.152 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.52 ' NZ ' ' O2D' ' A' ' 125' ' ' HEB . 84.1 tttt -60.24 -34.22 73.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.904 0.383 . . . . 0.0 110.515 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.584 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.1 tt0 -54.48 -41.92 70.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.022 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -61.28 -36.55 80.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.575 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -61.16 -40.88 95.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.43 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 51.4 t-80 -60.79 -46.56 90.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.806 0.336 . . . . 0.0 110.807 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.584 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.5 OUTLIER -60.94 -37.82 83.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.794 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -60.25 -46.84 88.41 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.327 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -66.47 -38.52 87.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.478 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.35 -47.56 85.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.052 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.5 ttt -64.7 -41.26 96.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.176 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.8 m -60.13 -43.92 95.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.97 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -63.22 -36.75 84.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.517 ' O ' ' CG2' ' A' ' 111' ' ' ILE . . . -59.56 -32.69 70.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -87.38 10.34 17.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.442 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.592 ' O ' ' N ' ' A' ' 58' ' ' THR . . . 87.34 24.23 37.5 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.53 69.89 0.01 OUTLIER Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.592 ' N ' ' O ' ' A' ' 56' ' ' GLY . 44.2 p -109.08 29.78 7.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.412 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 23.2 p-10 -52.03 -53.25 44.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.727 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 33.4 ptt180 179.48 54.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.173 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -51.39 154.32 3.13 Favored Pre-proline 0 C--N 1.328 -0.327 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.206 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -52.55 148.35 27.37 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.772 2.315 . . . . 0.0 112.331 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.89 -144.39 0.43 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.407 ' HG2' ' H ' ' A' ' 65' ' ' SER . 35.3 ttp180 67.6 -130.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.407 ' H ' ' HG2' ' A' ' 64' ' ' ARG . 21.1 p -148.34 133.03 17.85 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.952 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 mmt -64.15 -33.65 76.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.31 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.588 HH12 ' C ' ' A' ' 124' ' ' ARG . 86.2 mtt180 -56.53 -38.62 72.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.929 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.47 83.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.711 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.3 -35.34 80.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -97.19 -12.29 23.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.099 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 67' ' ' ARG . 50.8 tt0 -58.46 -37.97 76.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 110.766 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -57.91 -39.81 78.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.492 ' O ' ' O ' ' A' ' 77' ' ' ALA . 59.2 mt -60.99 -40.51 93.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.881 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.0 t -61.96 -40.0 85.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.058 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.3 -36.9 81.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.823 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -95.24 -61.81 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.348 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.76 143.76 40.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 111.199 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.85 119.22 5.19 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.1 tp -106.27 130.89 54.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.773 0.32 . . . . 0.0 110.773 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 30.8 p -125.14 164.67 19.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.663 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.411 ' OD1' ' CD2' ' A' ' 122' ' ' LEU . 95.5 m-20 -57.54 -34.91 69.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.196 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 2.8 p -51.13 -38.46 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.824 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.416 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 68.1 m80 -57.91 -41.41 82.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.9 0.381 . . . . 0.0 110.364 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.95 -43.87 91.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.574 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -59.67 -36.69 76.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.187 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.7 -59.01 4.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.494 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.2 tt -62.84 -32.72 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.787 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.21 -40.99 90.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.97 0.415 . . . . 0.0 110.359 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.37 -36.38 82.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.548 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -57.05 -39.05 74.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.532 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.33 -39.63 91.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.321 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.0 t -64.28 -42.84 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.629 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.4 mt -64.34 -36.21 83.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.1 m -58.48 -42.03 86.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.8 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.3 mt -62.9 -36.04 82.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.583 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -60.72 -36.37 78.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.57 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.93 -32.64 73.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.508 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.5 mt -83.72 -0.34 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.739 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.4 t30 60.39 51.23 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.617 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 43.5 t -100.16 140.4 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.352 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.9 t -52.7 141.87 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -59.12 -35.68 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.141 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -53.62 -41.35 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.729 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 77.5 mt -65.84 -37.41 86.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.904 0.383 . . . . 0.0 110.328 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.68 -39.65 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.693 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -59.11 -40.16 84.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.627 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.88 -38.28 90.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.441 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 72.2 t -64.93 -40.15 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.678 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 113' ' ' GLY . 77.8 t -61.55 -41.29 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.89 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 52.5 m -59.49 -40.74 87.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.394 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.517 ' CG2' ' O ' ' A' ' 54' ' ' ALA . 85.1 mt -58.86 -49.68 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.834 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.55 ' C ' ' H ' ' A' ' 114' ' ' SER . 14.0 m -80.83 -20.14 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.563 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -62.99 7.04 0.3 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.55 ' H ' ' C ' ' A' ' 112' ' ' VAL . 49.0 m -59.57 131.36 50.71 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.434 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 73.6 t -70.32 -40.94 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -58.06 -42.57 85.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.428 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -63.1 -46.28 88.1 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.477 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -59.96 -41.64 92.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.402 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -59.79 -36.41 76.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.704 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.505 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 91.0 m-20 -58.44 -37.13 74.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.521 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.0 t -60.94 -43.16 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.353 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.411 ' CD2' ' OD1' ' A' ' 81' ' ' ASP . 77.5 mt -77.36 -15.96 59.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.737 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.505 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 88.8 m-20 60.6 48.0 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.894 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.588 ' C ' HH12 ' A' ' 67' ' ' ARG . 16.3 mtp180 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.205 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' HEB . . . . . 0.52 ' O2D' ' NZ ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -119.63 147.81 44.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.489 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 44.1 tp -56.68 -39.42 73.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -59.67 -43.3 94.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.745 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.6 -38.2 89.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -62.57 -50.5 71.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.036 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.3 mt -72.29 -40.85 67.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.762 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.37 17.94 79.57 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.23 116.59 0.62 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.68 -35.77 80.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.798 0.332 . . . . 0.0 110.827 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.1 -34.32 76.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.78 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.54 -29.72 70.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.6 t -60.37 -43.95 94.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.885 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -61.06 -43.2 99.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.753 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 2.9 mm? -68.33 -37.65 80.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.7 94.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.449 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.22 -40.52 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.707 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -62.16 -46.43 89.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.171 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -62.84 -40.64 98.07 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.662 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -63.71 -46.37 85.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.478 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -60.81 -42.22 97.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.87 -46.96 91.8 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.562 ' HZ1' ' CG ' ' A' ' 90' ' ' ASN . 65.0 tttm -62.5 -39.77 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 110.5 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.9 t -62.07 -40.43 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.429 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.3 tp -59.23 -36.49 75.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.525 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.13 91.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.62 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.47 ' OD1' ' CZ ' ' A' ' 30' ' ' ARG . 58.1 t0 -92.02 101.6 14.14 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.528 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.86 -21.58 60.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.47 ' CZ ' ' OD1' ' A' ' 28' ' ' ASP . 90.2 mtm-85 -52.4 -40.3 61.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.208 -179.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.6 m -78.38 -31.02 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.69 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -58.73 -31.52 68.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -54.66 -39.36 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.881 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -68.55 -30.77 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.249 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.494 ' O ' ' O ' ' A' ' 38' ' ' THR . 95.3 m-85 -86.16 5.17 35.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.519 -179.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.6 t -57.58 -46.17 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.42 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -62.58 -34.91 77.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.517 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 35' ' ' PHE . 34.7 m -90.5 140.29 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.508 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.8 p30 -75.64 167.96 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.551 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.37 -34.34 75.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.194 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.66 -59.27 5.7 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.969 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.74 -32.48 73.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 0.0 110.544 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.554 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.2 tt0 -55.47 -44.2 76.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -62.85 -39.25 93.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.83 0.348 . . . . 0.0 110.438 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -61.48 -39.71 91.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.762 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -58.98 -45.24 91.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.568 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.604 ' N ' ' OE1' ' A' ' 47' ' ' GLN . 0.6 OUTLIER -61.31 -38.36 86.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.542 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -61.58 -50.9 70.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.437 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -66.24 -40.02 89.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.669 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -61.6 -49.33 77.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.785 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.7 ttt -64.88 -46.02 83.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.749 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.1 m -62.04 -40.83 97.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.705 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -61.03 -37.37 82.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.729 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.34 -32.12 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -86.25 5.93 32.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.654 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.6 ' O ' ' N ' ' A' ' 58' ' ' THR . . . 93.39 11.45 58.32 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.12 74.43 0.01 OUTLIER Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.6 ' N ' ' O ' ' A' ' 56' ' ' GLY . 50.6 p -71.68 -10.55 59.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.864 0.364 . . . . 0.0 110.505 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 60' ' ' ARG . 56.4 t0 -57.31 153.83 11.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.715 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.528 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 84.5 mtt180 58.49 -160.88 0.26 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.673 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.608 ' CD1' ' N ' ' A' ' 61' ' ' PHE . 0.3 OUTLIER 50.42 57.87 17.4 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.447 -179.799 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -64.4 137.62 56.46 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.755 2.303 . . . . 0.0 112.139 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.97 -174.68 55.28 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.592 ' O ' ' N ' ' A' ' 66' ' ' MET . 62.4 ttm-85 -116.02 -98.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.52 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.457 ' HG ' ' C ' ' A' ' 64' ' ' ARG . 74.7 p 34.99 26.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.592 ' N ' ' O ' ' A' ' 64' ' ' ARG . 20.8 mmt -59.97 -35.35 74.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.685 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 71' ' ' GLN . 96.6 mtt180 -57.87 -36.94 73.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.755 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.36 80.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.746 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.77 85.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -95.4 -14.24 23.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 67' ' ' ARG . 48.6 tt0 -56.95 -40.45 76.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.804 0.335 . . . . 0.0 110.485 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -59.78 -38.46 81.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.451 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.551 ' O ' ' N ' ' A' ' 77' ' ' ALA . 88.8 mt -61.06 -43.3 99.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.825 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.9 t -65.81 -44.03 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.01 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.44 -35.09 79.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.645 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -92.04 -60.55 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . -104.82 150.13 25.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.051 0.453 . . . . 0.0 110.902 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.29 114.65 4.44 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -98.78 135.96 39.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.689 0.28 . . . . 0.0 110.326 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.597 ' OG1' ' ND1' ' A' ' 83' ' ' HIS . 43.4 p -115.01 159.26 21.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.574 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -60.74 -37.43 81.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.248 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 p -57.52 -39.2 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.224 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.597 ' ND1' ' OG1' ' A' ' 80' ' ' THR . 40.9 m80 -57.23 -45.03 84.26 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.698 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -61.43 -45.73 93.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.401 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.04 -35.58 80.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.687 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.34 -59.46 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -63.24 -33.06 58.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.656 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.17 -43.46 78.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.967 0.413 . . . . 0.0 110.504 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.02 -37.16 83.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.422 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.562 ' CG ' ' HZ1' ' A' ' 24' ' ' LYS . 87.4 m-20 -57.68 -37.86 74.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.549 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.72 -40.52 92.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.512 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 72.0 t -65.23 -43.56 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.667 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.23 -35.34 80.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.534 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.5 m -57.97 -40.87 81.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.682 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.44 -37.34 83.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.57 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.9 -37.15 81.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.518 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.04 -33.19 75.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.752 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 60.5 mt -84.47 -0.81 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.7 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 49.2 t30 59.61 52.77 5.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.551 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 40.4 t -93.0 137.55 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.32 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.2 t -55.11 142.62 30.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.647 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -57.22 -37.24 71.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.903 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -56.7 -42.86 79.83 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.757 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.5 -38.0 83.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 110.435 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.29 -39.36 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.526 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -58.31 -38.68 77.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.645 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.08 -37.78 88.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.416 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.67 -39.96 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.585 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.591 ' O ' ' N ' ' A' ' 113' ' ' GLY . 75.2 t -61.55 -41.46 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.766 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.0 m -62.32 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.707 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.9 mt -62.23 -52.11 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 20.4 m -79.02 -23.62 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.897 0.38 . . . . 0.0 110.344 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -56.5 -26.09 51.26 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.2 m -41.3 118.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.004 0.43 . . . . 0.0 110.507 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 68.9 t -66.99 -33.78 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.023 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -51.53 -44.26 62.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.948 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -65.34 -45.75 82.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.576 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -58.81 -43.7 90.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.514 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -63.79 -37.85 88.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.455 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 93.2 m-20 -59.62 -39.73 85.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.787 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.95 -43.68 99.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.397 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.1 mt -75.08 -16.32 60.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.511 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 76.3 m-20 60.49 44.46 11.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.547 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 65.4 mtp85 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.561 179.845 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' HEB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -118.02 140.09 50.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.547 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 40.0 tp -59.33 -37.93 79.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.632 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -62.39 -43.47 98.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.723 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -67.62 -36.76 81.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -59.82 -53.67 55.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.998 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.0 mt -71.73 -37.65 70.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.757 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.01 3.62 69.99 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.82 109.35 0.39 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.54 -34.23 77.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.708 0.29 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.67 -33.79 75.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.796 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.56 -30.31 71.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.08 -42.22 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.901 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -59.41 -43.53 93.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.955 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 mp -70.93 -40.72 71.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.719 0.295 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.93 -41.94 90.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.642 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.4 t -66.69 -38.2 81.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.978 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.88 -42.31 79.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.998 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -63.69 -42.31 98.03 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.574 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -63.33 -43.05 98.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.657 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -57.41 -41.49 80.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.04 -44.87 92.86 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -62.52 -41.4 98.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.466 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.17 -45.08 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.505 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.93 -35.85 82.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.487 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.58 -35.95 81.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -85.93 108.67 18.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -73.27 -26.33 61.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.006 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -54.78 -41.94 71.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.445 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.9 m -80.73 -30.08 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.779 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -56.45 -30.53 62.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -53.51 -39.67 64.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.693 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -70.9 -30.5 66.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -87.15 9.71 19.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.24 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.01 -41.83 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.469 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -86.89 5.84 34.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.49 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.7 m -120.47 141.42 50.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.582 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.8 p30 -82.48 163.95 21.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.764 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.0 mtt -62.38 -35.3 78.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.177 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.45 -59.19 5.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.77 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -62.34 -33.43 74.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.382 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.413 ' HG2' HE21 ' A' ' 47' ' ' GLN . 7.5 tt0 -53.74 -42.06 67.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.79 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -62.72 -38.1 89.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -59.77 -42.48 93.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.491 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 56.4 t-80 -65.94 -48.91 69.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.604 ' N ' ' OE1' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -61.53 -39.94 92.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.683 -179.853 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -61.92 -47.58 84.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.446 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -64.31 -39.62 94.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.436 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -62.68 -46.04 90.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.7 ttt -61.17 -38.8 87.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.73 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.4 m -62.71 -38.57 90.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.748 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -57.86 -37.5 74.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.894 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.68 -33.32 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.902 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -77.65 -2.87 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 58' ' ' THR . . . 95.77 7.83 58.59 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.61 66.79 0.04 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 56' ' ' GLY . 72.0 p -65.27 -34.48 78.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.671 0.272 . . . . 0.0 110.885 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 58' ' ' THR . 87.8 m-20 37.14 -110.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.744 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -109.2 12.36 24.98 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.139 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.53 ' N ' ' CD ' ' A' ' 62' ' ' PRO . 7.7 m-85 -62.92 -39.75 56.0 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 61' ' ' PHE . 68.5 Cg_exo -47.5 -16.79 0.48 Allowed 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 121.82 1.68 . . . . 0.0 112.278 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.77 162.45 4.29 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.564 ' O ' ' CB ' ' A' ' 65' ' ' SER . 83.5 mtp180 -102.85 127.43 50.04 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.956 -0.297 . . . . 0.0 110.608 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 1.3 p 151.79 -8.65 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.243 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.7 mmt -58.25 -36.86 73.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.847 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.27 -39.76 83.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.865 0.364 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.08 83.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.651 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.76 -36.86 85.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.749 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -94.45 -13.23 26.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.76 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -59.42 -37.89 79.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.801 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -57.45 -40.83 79.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.594 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' A' ' 77' ' ' ALA . 76.7 mt -64.39 -38.9 92.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.624 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.16 -41.78 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.31 -35.22 79.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -91.5 -61.79 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.497 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.72 148.79 31.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.32 108.34 2.92 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 36.3 tp -100.76 129.05 46.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.624 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.0 p -122.85 166.48 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.624 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.522 ' CG ' ' HE ' ' A' ' 118' ' ' ARG . 94.3 m-20 -55.27 -34.64 64.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.398 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 2.4 p -49.58 -40.23 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.763 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.457 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 76.5 m80 -60.51 -42.79 97.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.422 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -59.24 -44.05 92.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.493 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.28 -35.62 81.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.62 -59.97 4.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.478 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.0 tt -62.07 -26.72 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.579 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.34 96.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -64.59 -35.39 80.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.789 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -56.72 -39.72 74.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.52 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.95 -38.19 90.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.621 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.2 t -62.14 -43.2 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.667 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.15 -36.59 82.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.649 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.4 m -59.11 -43.01 91.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.671 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.35 -36.29 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -60.52 -36.84 79.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.372 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.85 -31.22 72.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.439 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.1 mt -83.17 2.93 33.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.592 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 61.98 51.48 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.3 t -100.72 138.05 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.3 t -59.43 143.76 48.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.68 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.14 -36.11 72.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.894 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -55.49 -42.49 74.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.649 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.2 mt -66.75 -37.61 84.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.418 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.81 -38.48 81.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.661 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -57.9 -39.4 77.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.658 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.63 -36.23 83.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.522 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.3 t -64.81 -39.77 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.628 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 113' ' ' GLY . 78.3 t -60.81 -41.13 87.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.8 m -60.25 -41.41 93.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.933 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.83 -50.59 78.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.77 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.562 ' C ' ' H ' ' A' ' 114' ' ' SER . 18.9 m -81.69 -19.04 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.518 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -67.67 14.02 0.58 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.562 ' H ' ' C ' ' A' ' 112' ' ' VAL . 60.3 m -58.64 128.74 38.69 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.368 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.68 -41.59 80.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -58.35 -42.43 86.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.086 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -63.51 -45.88 88.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.447 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.522 ' HE ' ' CG ' ' A' ' 81' ' ' ASP . 71.7 ttt180 -59.69 -41.27 90.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -60.21 -36.85 78.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.487 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 90.4 m-20 -58.86 -38.0 77.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.1 t -61.64 -42.19 93.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.664 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 64.1 mt -83.33 -10.91 58.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.776 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.487 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 87.4 m-20 58.27 43.8 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.814 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.554 179.607 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' HEB . . . . . 0.491 ' ND ' ' CD2' ' A' ' 46' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.1 p -126.16 157.16 38.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.4 tp -56.28 -37.21 69.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.481 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.684 ' CE1' ' N ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -57.81 -43.35 85.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.34 -39.03 91.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -63.24 -49.87 72.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.053 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 67.2 mt -68.2 -36.33 79.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.804 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.71 8.12 70.49 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.1 103.61 0.27 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.684 ' N ' ' CE1' ' A' ' 5' ' ' TYR . . . -64.37 -39.7 94.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.771 0.319 . . . . 0.0 110.679 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.01 -39.0 92.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.586 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.57 -32.86 74.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.711 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.2 t -61.74 -42.71 95.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.731 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.52 -40.44 91.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.283 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.86 -41.36 91.29 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.059 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.96 -36.64 84.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.895 0.379 . . . . 0.0 110.489 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.3 -37.48 80.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.029 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -59.87 -39.93 86.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.178 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -62.9 -43.63 98.28 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.33 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -71.0 -50.09 38.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.517 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -60.7 -42.81 97.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.981 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.14 -45.91 93.38 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.653 ' HZ2' ' CD1' ' A' ' 93' ' ' LEU . 10.9 tttt -63.23 -42.66 99.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.3 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.51 -39.59 85.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.18 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 tp -59.13 -36.59 75.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.412 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.41 83.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -86.01 106.72 17.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.832 0.349 . . . . 0.0 110.52 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -75.91 -20.2 58.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -57.2 -40.54 77.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.256 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.9 m -81.21 -30.67 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.981 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.19 -33.99 68.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.261 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -56.35 -39.99 73.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.784 0.326 . . . . 0.0 110.92 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -69.89 -32.49 70.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.327 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.494 ' O ' ' O ' ' A' ' 38' ' ' THR . 81.7 m-85 -83.18 5.91 21.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.24 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.0 t -57.21 -43.23 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.401 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.621 ' ND2' HD21 ' A' ' 76' ' ' ASN . 84.3 m-20 -59.6 -33.71 71.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.585 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 35' ' ' PHE . 62.8 m -98.91 141.62 31.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.732 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.438 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.5 p30 -76.76 165.72 24.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.687 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -61.27 -35.42 77.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.201 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.03 -58.52 8.09 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.962 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -61.94 -33.62 74.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.752 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.589 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.2 tt0 -55.0 -41.65 71.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.925 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -60.54 -37.1 80.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.373 . . . . 0.0 110.452 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -60.55 -39.08 86.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.709 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.416 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 52.3 t-80 -59.01 -43.4 91.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.743 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -59.61 -38.2 80.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.478 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -61.3 -49.77 75.67 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.317 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -68.35 -41.97 79.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.418 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -63.39 -46.47 86.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.755 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.5 ttt -61.04 -40.83 95.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.72 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.4 m -63.23 -38.03 89.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.657 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -57.75 -37.52 73.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.07 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.84 67.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.97 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -82.19 1.52 35.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' A' ' 58' ' ' THR . . . 90.48 12.43 61.17 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.5 47.09 0.7 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 61' ' ' PHE . 58.8 p -65.5 -30.08 70.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.626 0.25 . . . . 0.0 110.833 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' THR . 89.1 m-20 34.44 -97.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.667 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 58' ' ' THR . 38.6 ptt180 -120.35 3.06 10.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.515 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 58' ' ' THR . 8.8 m-85 -35.69 -61.56 0.53 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.226 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 61' ' ' PHE . 29.5 Cg_exo -35.66 141.04 0.11 Allowed 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.325 2.017 . . . . 0.0 112.009 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.88 137.65 2.27 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -56.33 -34.53 66.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.727 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.1 m -54.13 -32.3 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.9 mmt -55.67 -38.08 69.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.594 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -61.36 -37.03 81.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.553 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.35 -34.19 77.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.748 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.11 88.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.771 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -92.02 -17.57 24.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.766 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -58.99 -37.97 78.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.798 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -58.22 -39.91 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.71 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' A' ' 77' ' ' ALA . 75.5 mt -62.04 -37.85 86.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.505 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.27 -41.85 93.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.773 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.9 -36.15 83.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.621 HD21 ' ND2' ' A' ' 37' ' ' ASN . 81.2 m-20 -89.49 -61.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.78 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.45 146.99 34.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.641 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -84.3 103.09 2.58 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 tp -103.11 131.32 50.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.718 0.294 . . . . 0.0 110.326 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 49.0 p -121.85 168.32 11.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.605 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.535 ' CB ' HH21 ' A' ' 118' ' ' ARG . 94.5 m-20 -54.26 -35.29 62.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.468 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 3.2 p -51.11 -38.05 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.69 -179.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.412 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 77.5 m80 -58.39 -44.2 88.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.355 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -60.2 -43.03 96.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.254 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.84 -37.2 81.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.829 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.96 -60.8 2.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.141 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.8 tt -62.69 -26.68 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.921 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.87 -43.85 97.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.18 -35.79 82.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.591 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.98 -38.63 73.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.522 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.7 tp -63.31 -39.4 94.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.547 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.553 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 75.0 t -64.24 -43.29 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.786 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.653 ' CD1' ' HZ2' ' A' ' 24' ' ' LYS . 82.3 mt -61.14 -36.61 80.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.722 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 50.4 m -60.19 -40.49 90.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.766 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.63 -36.83 81.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.899 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.561 ' NE2' ' N ' ' A' ' 96' ' ' GLN . 0.3 OUTLIER -60.14 -35.54 75.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.359 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.66 -32.04 73.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.501 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 59.8 mt -82.67 -0.47 47.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.3 t30 61.07 52.21 4.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.582 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.5 t -99.68 139.0 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.51 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.4 t -54.44 139.68 36.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.71 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -58.23 -37.34 74.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.228 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -56.93 -43.8 81.85 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.904 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.6 mt -68.55 -39.01 81.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.5 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.41 HD12 HE21 ' A' ' 96' ' ' GLN . 94.8 mt -63.63 -37.54 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.02 -39.77 79.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.469 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.77 -35.41 81.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.38 -39.32 84.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.721 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.555 ' O ' ' N ' ' A' ' 113' ' ' GLY . 70.6 t -59.88 -41.6 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.709 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.5 m -60.41 -41.51 94.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.9 mt -59.02 -50.88 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.75 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.9 m -82.2 -22.11 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.529 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -82.29 11.39 50.37 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.9 m -59.28 139.5 56.93 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.401 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 68.9 t -69.12 -42.11 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -59.49 -43.37 93.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.014 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -61.24 -43.3 99.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.91 0.386 . . . . 0.0 110.412 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.535 HH21 ' CB ' ' A' ' 81' ' ' ASP . 78.7 ttt180 -57.71 -39.56 77.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.51 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -58.94 -37.24 76.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.484 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.1 m-20 -59.26 -37.57 77.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.651 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.75 -42.67 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.607 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.447 ' O ' ' NH1' ' A' ' 124' ' ' ARG . 79.1 mt -83.16 -10.03 58.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.778 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.484 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 81.3 m-20 58.5 43.96 18.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 122' ' ' LEU . 82.4 mmt-85 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.396 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' HEB . . . . . 0.416 ' ND ' ' CD2' ' A' ' 46' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -119.49 145.34 46.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.0 tp -55.04 -37.22 66.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.335 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -56.15 -43.63 78.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.59 -36.6 84.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.943 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -62.36 -52.39 63.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.181 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.7 mt -70.77 -38.01 73.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.7 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.04 26.83 65.61 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.08 126.19 1.41 Allowed Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.48 95.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.775 0.321 . . . . 0.0 110.666 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.52 -37.76 88.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.536 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.53 -37.12 86.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.557 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.2 t -63.3 -47.42 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.557 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -64.47 -38.6 91.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.8 tp -56.9 -41.69 78.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.73 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.89 -36.87 80.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.806 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.62 -40.82 90.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.064 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -62.39 -39.47 93.32 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.994 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -62.85 -45.29 93.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.426 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -69.61 -44.15 71.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.707 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -58.01 -42.26 84.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.974 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.46 -40.84 92.84 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -61.44 -37.19 82.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.819 0.342 . . . . 0.0 110.698 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.7 -41.24 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.72 -34.92 75.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.09 95.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -89.88 105.08 17.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.934 0.397 . . . . 0.0 110.795 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -73.06 -28.31 62.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.8 mtm-85 -54.88 -42.27 71.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.767 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.0 m -80.11 -29.8 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.718 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -57.41 -34.33 68.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.292 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -52.59 -40.01 62.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.961 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -68.3 -30.45 69.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.172 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.482 ' O ' ' O ' ' A' ' 38' ' ' THR . 97.2 m-85 -94.41 -2.6 51.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.695 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 t -60.57 -47.45 92.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.301 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -63.11 -35.51 80.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.044 0.449 . . . . 0.0 110.095 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.585 ' CG2' ' HZ1' ' A' ' 42' ' ' LYS . 62.8 m -86.23 141.04 29.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.435 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.496 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 49.7 p30 -68.17 151.65 46.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.993 0.425 . . . . 0.0 110.64 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.4 mtt -61.24 -34.06 74.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.038 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.15 -59.17 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.159 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.585 ' HZ1' ' CG2' ' A' ' 38' ' ' THR . 6.0 mtmp? -62.43 -33.85 75.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 110.673 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.589 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.3 tt0 -56.3 -42.32 77.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -59.67 -38.39 81.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.98 0.419 . . . . 0.0 110.698 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.99 -38.14 84.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.434 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 43.7 t-80 -59.93 -45.12 93.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.157 -179.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -59.86 -39.35 84.9 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.857 -179.754 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -61.54 -48.57 80.4 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.047 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -66.53 -40.14 88.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.406 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -61.34 -46.34 90.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.545 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.3 tpt -61.84 -39.94 93.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.63 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 42.5 m -60.86 -42.59 98.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.62 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -61.78 -41.95 98.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.771 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.87 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -75.04 -0.07 17.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.668 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.0 1.56 58.4 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.27 51.36 1.72 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.59 ' O ' ' CD2' ' A' ' 61' ' ' PHE . 44.4 p -60.76 -32.39 71.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.669 0.271 . . . . 0.0 110.7 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 60' ' ' ARG . 58.9 t0 41.24 37.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.297 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 31.27 79.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.044 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 58' ' ' THR . 50.4 m-85 -71.13 151.55 94.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.376 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -41.12 -60.66 0.59 Allowed 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 122.371 2.047 . . . . 0.0 112.046 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.15 -7.2 72.67 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 64.8 ttt-85 -99.02 -66.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 110.636 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.3 p -62.17 -20.58 64.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.77 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 mmt -56.22 -39.46 72.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.687 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.93 -40.59 96.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 110.486 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.84 -33.87 75.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.23 -37.57 83.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.674 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -94.22 -16.91 23.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.678 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.34 -37.06 76.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.8 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -55.87 -40.86 73.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.757 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.5 ' O ' ' O ' ' A' ' 77' ' ' ALA . 71.5 mt -64.6 -39.63 94.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.585 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.25 -41.08 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.33 -36.54 84.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.982 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -92.18 -61.26 1.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.203 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.5 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.38 148.73 31.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 0.0 110.991 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -83.75 111.09 3.39 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.4 tp -101.13 132.38 46.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.784 0.326 . . . . 0.0 110.602 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.404 ' HG1' HG11 ' A' ' 82' ' ' VAL . 28.2 p -123.11 166.53 15.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.607 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.486 ' OD2' ' NH2' ' A' ' 118' ' ' ARG . 94.4 m-20 -56.44 -34.53 66.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.699 -179.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 2.2 p -50.37 -38.35 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.807 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.432 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 78.2 m80 -57.94 -42.85 85.73 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.352 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.66 -45.15 95.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.503 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -62.23 -37.97 87.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.46 -57.71 6.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.4 tt -62.37 -30.44 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 110.611 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.36 92.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.64 -37.51 84.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.617 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.69 -37.91 77.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.9 tp -60.68 -38.82 86.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.23 -42.78 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.767 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.3 mt -62.09 -37.12 83.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.593 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.7 m -59.77 -41.76 91.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.683 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 73.4 mt -62.8 -36.37 82.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.01 -37.03 78.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.511 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.82 -31.29 72.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.528 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 59.5 mt -82.31 1.47 36.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.689 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 61.63 50.64 4.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.641 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.2 t -102.98 138.26 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.6 t -56.25 142.84 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.612 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -58.27 -37.01 74.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.123 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -55.88 -42.73 76.35 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.697 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.9 -36.88 83.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.443 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.73 -40.21 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.675 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -58.42 -40.0 81.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.52 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.24 -36.88 83.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.383 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.56 -39.86 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 113' ' ' GLY . 78.9 t -61.07 -40.87 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.671 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.6 m -60.0 -41.2 91.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.404 HD13 HG23 ' A' ' 111' ' ' ILE . 82.5 mt -58.57 -50.79 77.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.687 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.0 m -82.32 -19.75 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.417 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -88.31 64.72 3.5 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.4 m -115.85 144.37 44.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.422 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.67 -41.5 92.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.25 -44.57 92.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.96 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -64.28 -43.2 95.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.366 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.486 ' NH2' ' OD2' ' A' ' 81' ' ' ASP . 78.3 ttt180 -57.52 -42.34 82.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.573 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -61.94 -39.12 90.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.52 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.2 -38.73 87.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.637 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.48 -41.59 92.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.579 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.2 mt -86.44 -5.82 59.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 58.21 43.96 19.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.448 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.555 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' HEB . . . . . 0.434 ' ND ' ' CD2' ' A' ' 46' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 m -120.54 149.78 41.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.608 ' CD1' ' CD2' ' A' ' 55' ' ' PHE . 41.7 tp -54.49 -38.25 66.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.324 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -58.33 -42.73 87.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -64.62 -39.7 94.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -65.34 -54.19 32.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.1 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.3 mt -69.67 -37.32 76.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.809 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.34 12.14 79.21 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.19 115.87 0.7 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.77 -40.46 95.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.58 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.18 -34.55 78.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.451 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -31.24 72.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.74 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.9 t -59.73 -46.31 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.716 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -64.24 -41.59 96.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.13 -39.17 93.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.979 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.67 -42.41 95.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.681 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.1 t -67.5 -38.15 80.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.98 -45.14 87.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.195 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -63.42 -40.45 97.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.44 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.49 ' CE2' ' CG2' ' A' ' 25' ' ' VAL . 67.1 t80 -64.12 -42.79 96.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.771 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -59.44 -41.01 88.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.95 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 26' ' ' LEU . . . -56.59 -37.64 76.96 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -82.04 -33.01 30.18 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.49 ' CG2' ' CE2' ' A' ' 21' ' ' PHE . 55.0 t -60.87 -47.57 92.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.526 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.539 ' CD1' ' O ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -78.87 -15.42 58.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.861 0.362 . . . . 0.0 110.475 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.521 ' N ' ' CD1' ' A' ' 26' ' ' LEU . . . -64.02 -37.58 87.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.347 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -88.15 111.34 21.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.519 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.6 -25.26 63.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -54.73 -42.74 71.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.711 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.9 m -82.91 -27.16 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.948 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -57.11 -29.64 63.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -51.32 -40.79 59.81 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.849 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -71.52 -26.23 62.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.271 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -95.34 8.43 43.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.739 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.0 t -58.11 -40.39 76.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.476 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -85.53 6.19 28.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.621 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.6 m -119.17 138.62 52.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.458 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.439 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 49.5 p30 -77.97 159.45 28.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.67 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.4 mtm -60.72 -35.94 77.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.159 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.36 -57.49 12.57 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.141 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -61.2 -35.88 78.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.611 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.602 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.2 tt0 -55.18 -42.76 73.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.315 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -59.3 -35.78 74.41 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.922 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -58.43 -41.49 85.15 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.669 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -62.63 -47.22 84.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.683 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.602 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 1.4 mp0 -61.22 -39.03 88.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -61.02 -49.46 77.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 110.402 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -67.64 -36.8 81.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.644 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -58.24 -48.86 79.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.109 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.2 ttm -63.07 -42.41 99.65 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.912 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.0 m -60.95 -43.81 98.17 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -64.9 -39.37 93.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.774 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.38 -33.16 72.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.764 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.608 ' CD2' ' CD1' ' A' ' 4' ' ' LEU . 5.7 m-85 -75.76 1.73 14.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.612 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.57 6.76 59.49 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.87 61.59 0.34 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.589 ' O ' ' N ' ' A' ' 60' ' ' ARG . 52.9 p -64.63 -27.31 68.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.72 0.295 . . . . 0.0 110.464 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' THR . 89.2 m-20 33.66 -87.8 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.589 ' N ' ' O ' ' A' ' 58' ' ' THR . 60.9 ttm-85 -168.93 -42.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.666 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.483 ' O ' ' O ' ' A' ' 60' ' ' ARG . 7.9 m-85 56.02 155.92 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.327 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -42.74 142.64 1.98 Allowed 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.435 2.09 . . . . 0.0 112.127 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.16 1.23 76.36 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -70.1 143.18 52.48 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.4 p -52.83 112.47 0.85 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.608 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 mmt -61.23 -37.2 82.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.627 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 71' ' ' GLN . 77.6 mtt85 -59.61 -38.21 80.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.94 -35.79 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.739 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.14 85.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.586 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -99.17 -12.43 20.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 67' ' ' ARG . 32.4 tt0 -59.02 -39.41 81.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -57.89 -39.75 78.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.675 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.496 ' O ' ' O ' ' A' ' 77' ' ' ALA . 74.6 mt -63.28 -38.82 92.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.747 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.451 ' CG2' HD21 ' A' ' 123' ' ' ASN . 69.0 t -64.97 -41.24 91.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.96 -35.61 80.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -92.33 -61.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.081 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.496 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.09 149.88 29.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.942 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.13 112.93 3.8 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.2 tp -99.17 131.08 45.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.456 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.8 p -124.61 165.57 17.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.76 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -56.1 -34.42 66.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.739 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.481 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 2.6 p -46.88 -41.24 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.615 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.481 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 75.0 m80 -60.88 -44.64 96.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.888 0.375 . . . . 0.0 110.361 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -61.28 -43.99 97.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.506 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.89 -37.08 78.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.768 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.74 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.99 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -62.72 -30.69 49.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.492 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.67 87.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.39 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.28 -35.55 80.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.475 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -56.98 -39.01 73.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.819 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.7 tp -63.87 -40.03 95.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.2 t -61.31 -45.06 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.873 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.6 mt -63.59 -36.29 83.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.773 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 48.3 m -59.46 -42.09 91.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.196 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.17 -36.5 79.99 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.685 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -60.35 -38.19 83.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.276 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.25 -31.99 73.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.465 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.0 mt -82.25 -0.09 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.715 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 47.7 t30 61.38 50.81 4.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.597 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.1 t -100.32 139.0 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.461 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.4 t -54.02 140.75 30.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.695 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -59.03 -36.45 75.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.046 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -55.22 -42.26 73.13 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.776 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.5 -37.34 82.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.514 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.71 -41.09 89.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.747 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -59.2 -40.13 84.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.96 -35.01 79.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.55 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.3 t -62.67 -39.56 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.762 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 113' ' ' GLY . 65.6 t -60.11 -42.91 91.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 51.0 m -61.98 -43.19 99.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.094 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.06 -50.77 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.978 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 17.9 m -79.04 -23.77 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.598 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -82.81 14.65 35.89 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.6 m -58.59 142.32 49.61 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.317 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 71.1 t -68.09 -41.44 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.083 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -58.98 -47.15 86.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.177 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -66.72 -45.07 79.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.437 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 59.1 ttt85 -58.71 -42.28 88.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.68 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -61.53 -37.1 82.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.756 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.498 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 90.3 m-20 -60.79 -38.35 85.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.817 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.3 t -62.29 -45.22 99.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.643 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.84 -30.97 71.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.979 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.498 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 82.3 m-20 60.27 45.41 11.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.025 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.549 179.616 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' HEB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.9 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.822 0.344 . . . . 0.81000000000000005 110.527 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -48.56 -52.79 21.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.72999999999999998 110.603 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.49 -35.19 50.63 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.933 -0.867 . . . . 0.64000000000000001 110.933 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -74.32 -43.69 55.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 2.4199999999999999 110.573 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.5 t -60.38 -26.05 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.68999999999999995 110.59 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.3 tp -69.69 -43.49 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 1.6200000000000001 110.277 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.96 -38.37 70.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.76000000000000001 110.569 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -77.88 88.44 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.68999999999999995 110.55 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -71.18 -1.35 12.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 2.5499999999999998 110.595 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -73.41 -54.42 8.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 2.02 110.608 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.6 m -72.62 -23.2 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.53000000000000003 110.556 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -60.52 -29.09 68.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.46999999999999997 110.565 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 36' ' ' VAL . 56.1 mtp180 -51.93 -29.63 21.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 3.1200000000000001 110.645 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.473 ' CE2' ' HB1' ' A' ' 77' ' ' ALA . 76.6 m-85 -82.28 -35.28 28.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.90000000000000002 110.634 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -79.7 25.61 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.62 110.723 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 33' ' ' ARG . 89.9 t -79.07 -40.17 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 1.4199999999999999 110.464 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -74.43 -40.07 62.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.1599999999999999 110.566 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.4 m -79.92 145.3 32.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.79000000000000004 110.577 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.2 p30 -77.97 168.51 19.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.73999999999999999 110.539 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.6 mtt -69.4 -24.01 63.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 1.8999999999999999 110.602 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.21 -59.01 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.65000000000000002 110.536 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -67.44 -23.6 65.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 2.3900000000000001 110.581 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -56.71 -58.3 8.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.54000000000000004 110.552 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -46.52 -45.62 18.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 1.73 110.59 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -49.98 -33.32 17.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 1.4299999999999999 110.572 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -66.2 -51.89 53.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.40000000000000002 110.564 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.419 ' CD ' ' N ' ' A' ' 47' ' ' GLN . 8.7 mp0 -59.35 -23.51 62.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.68000000000000005 110.506 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -76.14 -58.0 3.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 2.0499999999999998 110.629 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -63.67 -26.13 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.45000000000000001 110.563 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -76.12 -54.54 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.75 110.55 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.8 ttt -58.24 -21.14 47.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 1.23 110.615 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 54' ' ' ALA . 22.3 m -77.98 -56.92 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.56999999999999995 110.578 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.451 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 53.5 t80 -49.88 -17.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.66000000000000003 110.554 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 52' ' ' THR . . . -64.43 -43.8 93.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.53000000000000003 110.601 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -77.55 14.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 1.3799999999999999 110.586 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.928 -0.869 . . . . 0.63 110.928 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.4 mmt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.789 0.328 . . . . 0.81000000000000005 110.557 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' GLN . 87.7 mtt180 -62.8 -58.89 5.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 1.6599999999999999 110.617 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.33 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.52000000000000002 110.572 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.47 -47.78 69.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.46999999999999997 110.595 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -78.16 -20.95 50.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.39000000000000001 110.626 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 67' ' ' ARG . 54.9 tt0 -61.95 -41.5 98.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 1.54 110.606 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -52.94 -23.96 8.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.65000000000000002 110.588 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.3 mt -76.98 -59.02 2.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.5 110.605 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.6 t -50.85 -17.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.48999999999999999 110.65 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -78.11 -52.24 9.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 2.0299999999999998 110.618 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -89.85 -60.28 1.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.293 -0.412 . . . . 0.93999999999999995 110.628 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.473 ' HB1' ' CE2' ' A' ' 34' ' ' PHE . . . -82.98 138.82 33.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.60999999999999999 110.667 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -81.2 64.85 4.09 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.91 -0.876 . . . . 0.53000000000000003 110.91 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.72 149.28 31.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 0.72999999999999998 110.447 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.521 ' OG1' ' ND1' ' A' ' 83' ' ' HIS . 77.2 p -144.38 -171.98 3.7 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.209 -0.45 . . . . 0.96999999999999997 110.482 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 83' ' ' HIS . 1.7 m-20 -78.0 -54.54 6.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 1.24 110.693 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.7 p -44.99 -17.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.92000000000000004 110.663 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.521 ' ND1' ' OG1' ' A' ' 80' ' ' THR . 31.1 m170 -78.05 -41.13 36.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.71999999999999997 110.574 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' ASP . 36.7 t80 -66.83 -37.68 84.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.64000000000000001 110.574 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.97 -27.93 67.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.92000000000000004 110.566 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.17 -64.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.48999999999999999 110.584 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.5 tt -58.55 -33.09 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.40999999999999998 110.592 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.77 94.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.38 110.549 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -64.35 -50.99 65.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 2.0899999999999999 110.539 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -44.7 -43.07 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.40000000000000002 110.744 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.6 tp -57.46 -46.4 83.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.40000000000000002 110.336 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.41 -44.08 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.41999999999999998 110.776 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.94 -20.89 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.56999999999999995 110.75 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 m -71.9 -46.29 58.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.358 -0.383 . . . . 0.53000000000000003 110.599 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.7 mt -68.69 -22.91 64.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.59999999999999998 110.569 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -73.23 -25.47 60.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 2.1800000000000002 110.463 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -76.22 -31.51 58.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.88 110.582 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.3 mt -77.96 3.63 14.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.91000000000000003 110.514 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.6 t30 61.32 56.16 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 1.1699999999999999 111.024 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 81.1 t -109.46 132.15 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.361 -0.381 . . . . 0.77000000000000002 110.296 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 t -45.58 160.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.93000000000000005 110.66 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -77.1 -45.59 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 1.1799999999999999 110.711 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -44.93 -40.91 6.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 1.05 110.709 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 20.6 mt -73.04 -37.83 66.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.95999999999999996 110.611 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.96 -21.96 21.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.59999999999999998 110.438 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -69.5 -43.7 72.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.71999999999999997 110.479 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.38 -38.03 88.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 2.21 110.536 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.61 -46.74 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.47999999999999998 110.515 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 113' ' ' GLY . 88.0 t -54.99 -37.91 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.52000000000000002 110.548 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.9 m -59.03 -53.73 55.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.66000000000000003 110.618 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.2 mt -47.88 -59.01 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.56000000000000005 110.598 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.7 m -73.54 -12.06 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.60999999999999999 110.624 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -78.93 11.07 29.84 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.907 -0.877 . . . . 0.90000000000000002 110.907 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.2 m -60.32 138.4 57.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.62 110.566 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.0 t -76.12 -30.9 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.80000000000000004 110.546 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -65.55 -61.0 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 1.74 110.567 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -46.79 -40.68 14.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.41999999999999998 110.535 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -68.24 -43.87 76.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 2.0099999999999998 110.526 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -62.4 -27.74 69.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.68999999999999995 110.575 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -68.28 -38.57 81.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.53000000000000003 110.609 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.41 -49.99 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.71999999999999997 110.585 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.3 mt -72.54 -14.13 61.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 1.05 110.503 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 54.19 95.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.90000000000000002 110.591 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.967 -1.016 . . . . 4.4100000000000001 110.434 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 25' ' ' VAL . 61.6 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.751 0.31 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -57.92 -43.23 86.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.23 -44.52 94.91 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.499 ' NZ ' ' CD ' ' A' ' 97' ' ' GLU . 0.1 OUTLIER -65.07 -39.89 93.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.913 0.387 . . . . 0.0 110.623 179.764 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.625 HG11 HE21 ' A' ' 47' ' ' GLN . 73.8 t -63.49 -44.8 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.245 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.731 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -70.7 -30.22 66.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.591 -179.708 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.71 -35.69 73.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.69 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -87.16 113.16 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.367 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.73 -20.98 59.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.001 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -57.13 -41.14 78.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.227 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 m -82.11 -28.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.656 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -56.94 -29.82 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.964 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 36' ' ' VAL . 79.2 mtp180 -53.11 -39.28 63.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.498 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -71.94 -30.63 65.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -87.05 8.27 24.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.32 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 33' ' ' ARG . 53.4 t -57.13 -40.8 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.363 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -87.2 5.39 38.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.53 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.5 m -120.99 140.28 52.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.562 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 39' ' ' ASP . 53.0 p30 -79.97 163.24 24.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.785 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -34.33 74.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.8 -57.91 10.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.653 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -62.45 -34.4 76.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.605 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.49 ' O ' ' OE1' ' A' ' 47' ' ' GLN . 60.8 tt0 -55.33 -42.96 74.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -61.86 -37.72 85.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 0.0 110.801 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -59.88 -43.22 94.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.932 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -64.07 -42.24 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.823 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.625 HE21 HG11 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -59.23 -37.74 78.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.717 -179.84 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.78 -46.83 88.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.827 0.346 . . . . 0.0 110.486 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -66.52 -38.79 87.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -60.46 -50.41 73.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.7 ttt -64.9 -38.58 91.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.4 m -59.03 -43.38 91.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -60.97 -40.36 93.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.595 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.731 ' O ' HG21 ' A' ' 111' ' ' ILE . . . -61.8 -36.08 80.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.717 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -77.23 -4.16 43.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.654 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.726 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.85 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.726 0.298 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -57.21 -40.67 77.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.661 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.44 -38.56 81.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.782 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.03 86.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.98 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -93.2 -9.51 39.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.981 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -57.78 -38.28 75.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.787 0.327 . . . . 0.0 110.621 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -57.17 -39.81 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.697 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.474 ' O ' ' O ' ' A' ' 77' ' ' ALA . 75.2 mt -62.51 -39.97 95.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.509 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.4 t -67.04 -42.37 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -64.09 -35.63 81.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.178 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -88.65 -62.28 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.092 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.75 146.89 35.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.802 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.53 113.4 3.81 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 tp -99.35 129.51 45.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.596 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.492 ' OG1' HG12 ' A' ' 82' ' ' VAL . 74.6 p -125.23 168.04 14.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.807 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.727 ' OD1' HD11 ' A' ' 122' ' ' LEU . 94.1 m-20 -55.49 -37.7 68.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.705 -179.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.492 HG12 ' OG1' ' A' ' 80' ' ' THR . 3.4 p -54.58 -39.24 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.594 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.445 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 50.9 m80 -60.25 -44.12 95.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.388 . . . . 0.0 110.451 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.41 ' CD1' HG21 ' A' ' 121' ' ' VAL . 65.5 t80 -59.9 -44.88 94.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.358 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -64.58 -33.42 75.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.6 -60.09 3.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.401 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.2 tt -63.51 -27.83 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.545 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.54 -42.61 95.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.624 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.75 -34.69 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.631 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -55.52 -39.4 70.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.422 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.9 tp -64.64 -39.91 94.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.526 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.659 HG13 HG21 ' A' ' 105' ' ' ILE . 71.6 t -64.64 -45.24 95.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.678 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.0 mt -64.79 -34.99 79.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.8 m -57.96 -43.22 86.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.623 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.603 HD12 HG23 ' A' ' 105' ' ' ILE . 77.1 mt -65.44 -36.06 82.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.538 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.57 -38.09 83.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.696 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.499 ' CD ' ' NZ ' ' A' ' 24' ' ' LYS . 96.6 mt-10 -64.64 -30.7 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.0 mt -81.47 3.27 25.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.581 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 62.24 49.58 4.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.551 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.3 t -105.16 138.59 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.8 t -56.15 140.38 44.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.696 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.616 ' HA ' HD12 ' A' ' 105' ' ' ILE . 68.1 tp60 -58.92 -35.97 73.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.114 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -54.82 -42.7 72.22 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.678 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.5 -36.55 83.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.311 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.659 HG21 HG13 ' A' ' 92' ' ' VAL . 79.6 mt -60.89 -40.51 85.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.608 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -58.15 -39.27 78.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -60.58 -39.23 87.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.1 t -66.68 -39.48 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.619 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.8 t -60.58 -40.79 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.74 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.4 m -59.81 -39.53 85.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.954 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.731 HG21 ' O ' ' A' ' 54' ' ' ALA . 87.7 mt -57.34 -50.4 76.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.915 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 114' ' ' SER . 29.4 m -77.14 -28.15 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 0.0 110.554 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.4 69.91 0.04 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 112' ' ' VAL . 48.7 m -117.45 139.09 51.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.851 0.358 . . . . 0.0 110.453 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.476 HG12 HD21 ' A' ' 119' ' ' ASN . 77.2 t -69.45 -41.49 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.183 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.81 -44.65 90.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.246 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -65.43 -46.17 80.99 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.49 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.588 ' NH2' ' OD2' ' A' ' 81' ' ' ASP . 79.6 ttt-85 -59.09 -41.85 89.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.663 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.476 HD21 HG12 ' A' ' 115' ' ' VAL . 85.3 m-20 -60.49 -38.43 84.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -60.86 -36.75 79.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.594 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.41 HG21 ' CD1' ' A' ' 84' ' ' PHE . 94.3 t -60.53 -42.87 93.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.75 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.727 HD11 ' OD1' ' A' ' 81' ' ' ASP . 79.0 mt -90.51 -0.36 57.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.72 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 58.5 43.28 19.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.494 179.766 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.9 t80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.811 0.339 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -56.73 -41.08 76.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.668 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.27 -43.07 93.75 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.486 ' NZ ' ' OE2' ' A' ' 97' ' ' GLU . 3.9 mptp? -62.37 -37.47 85.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.711 0.291 . . . . 0.0 110.522 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.81 -40.66 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.679 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.603 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -62.7 -38.78 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.314 -179.77 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.02 94.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.362 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.479 ' O ' HG22 ' A' ' 31' ' ' VAL . 53.2 t0 -87.77 97.37 10.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.632 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -74.31 -24.9 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.785 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -52.53 -39.79 61.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.788 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 28' ' ' ASP . 16.3 m -78.78 -31.16 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 110.62 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -56.71 -30.13 63.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.666 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.676 ' O ' HG13 ' A' ' 36' ' ' VAL . 92.2 mtt180 -53.31 -36.74 61.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.573 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -77.8 -18.35 56.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -97.74 13.08 31.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.037 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 33' ' ' ARG . 30.3 m -63.91 -35.72 74.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.721 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -89.08 4.63 47.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.741 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.0 m -124.81 141.83 51.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.598 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 54.5 p30 -81.57 163.18 22.8 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.519 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.4 mtt -62.0 -34.94 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.85 -58.85 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.677 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -62.8 -33.87 76.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.444 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.593 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 59.8 tt0 -55.44 -40.19 71.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.535 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -59.03 -36.19 74.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.724 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -59.09 -40.53 85.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -60.57 -45.66 93.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.597 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.593 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 1.7 mp0 -61.19 -37.11 81.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.001 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -60.82 -53.03 62.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.363 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -66.26 -39.24 89.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.532 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -59.6 -47.78 84.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.671 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.7 tpt -62.45 -40.82 97.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.663 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.0 m -62.64 -42.05 99.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.641 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -61.02 -36.22 78.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.572 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.93 -30.9 64.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.551 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -90.64 5.91 46.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.667 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 32.3 mmt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.81 0.338 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' GLN . 98.5 mtt180 -59.75 -40.37 87.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.764 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.65 84.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.53 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.61 -33.66 76.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.46 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -98.11 -14.3 20.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.748 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.509 ' O ' ' OE1' ' A' ' 75' ' ' GLU . 63.5 tt0 -58.63 -40.04 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.825 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -56.21 -39.54 72.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.642 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 77' ' ' ALA . 87.7 mt -63.18 -36.38 83.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.18 -49.48 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.891 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' A' ' 71' ' ' GLN . 15.9 mp0 -68.77 -36.75 78.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.915 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -78.82 -61.16 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.635 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.501 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -111.69 161.88 15.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.758 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.45 115.08 4.54 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.41 HD21 HG12 ' A' ' 121' ' ' VAL . 37.6 tp -98.57 131.59 44.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.603 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.585 ' OG1' ' CE1' ' A' ' 83' ' ' HIS . 33.3 p -122.85 161.52 23.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.735 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -59.35 -37.3 77.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.979 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 2.3 p -55.95 -36.83 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.585 ' CE1' ' OG1' ' A' ' 80' ' ' THR . 38.7 m80 -57.29 -44.61 84.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.838 0.351 . . . . 0.0 110.716 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -61.47 -47.27 86.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.404 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -63.9 -33.48 75.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.1 -62.87 1.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -61.94 -30.87 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.46 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.74 90.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.03 -37.8 86.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -58.72 -37.63 76.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.661 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.5 tp -60.6 -39.94 89.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.509 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.74 -43.27 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.695 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.73 -36.21 82.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.703 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.5 m -58.77 -42.01 87.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.559 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.507 HD12 HG23 ' A' ' 105' ' ' ILE . 77.3 mt -63.85 -35.6 81.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.615 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.444 ' OE1' ' CD1' ' A' ' 105' ' ' ILE . 29.2 mm100 -59.64 -37.99 80.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.583 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.486 ' OE2' ' NZ ' ' A' ' 24' ' ' LYS . 96.9 mt-10 -64.78 -32.8 74.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.597 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 81.9 mt -77.29 -3.9 42.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.621 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 61.54 49.98 4.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.561 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.4 t -99.4 139.6 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.5 t -55.18 139.93 40.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.658 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.475 ' HA ' HD12 ' A' ' 105' ' ' ILE . 63.1 tp60 -58.89 -35.35 72.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.41 -43.83 75.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.631 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.26 -37.67 80.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.355 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.507 HG23 HD12 ' A' ' 95' ' ' LEU . 84.3 mt -61.75 -38.92 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.621 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -58.31 -39.93 80.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.428 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.74 -38.28 87.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.511 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.6 t -64.1 -39.69 86.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.598 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 113' ' ' GLY . 79.0 t -60.54 -41.05 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.483 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.7 m -61.07 -43.34 99.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.63 -52.28 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.845 0.355 . . . . 0.0 111.025 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.52 ' C ' ' H ' ' A' ' 114' ' ' SER . 20.1 m -77.57 -22.34 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.423 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -63.46 5.54 0.7 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.52 ' H ' ' C ' ' A' ' 112' ' ' VAL . 50.9 m -57.28 126.07 25.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 110.465 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 71.3 t -69.14 -38.73 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.791 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -56.12 -44.49 79.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.708 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -66.06 -43.47 87.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -57.41 -43.52 83.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.535 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -64.01 -37.58 87.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.711 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.5 m-20 -59.4 -39.14 82.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.41 HG12 HD21 ' A' ' 79' ' ' LEU . 71.9 t -62.8 -42.26 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.605 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.463 HD13 HH21 ' A' ' 124' ' ' ARG . 22.1 mt -86.61 -7.66 58.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.579 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 56.7 m-20 59.92 45.16 12.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.699 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.463 HH21 HD13 ' A' ' 122' ' ' LEU . 80.1 mtm180 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.923 -1.036 . . . . 0.0 110.574 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.8 t80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.955 0.407 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -59.81 -43.12 94.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.726 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.26 -42.09 97.12 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -61.3 -42.06 98.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.367 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.28 -40.81 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.537 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 tp -58.75 -36.57 74.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.389 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.8 88.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.419 ' O ' HG22 ' A' ' 31' ' ' VAL . 59.8 t0 -87.15 102.66 14.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.927 0.394 . . . . 0.0 110.659 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -73.13 -25.5 60.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -53.98 -41.63 68.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.701 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 28' ' ' ASP . 16.4 m -79.67 -29.12 13.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.837 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -57.77 -31.1 66.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -54.22 -40.09 67.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.876 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -69.52 -33.85 73.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.074 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.486 ' O ' ' O ' ' A' ' 38' ' ' THR . 90.6 m-85 -80.75 3.46 22.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.3 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.1 t -56.9 -43.92 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.286 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -60.07 -33.65 72.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.467 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.486 ' O ' ' O ' ' A' ' 35' ' ' PHE . 33.0 m -96.93 142.61 28.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.671 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 48.5 p30 -71.2 157.36 38.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.431 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.1 mtp -60.76 -35.02 75.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.242 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.25 -58.7 7.23 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.954 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.44 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -61.07 -34.63 75.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.385 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.436 ' O ' ' OE1' ' A' ' 47' ' ' GLN . 59.5 tt0 -53.68 -39.14 64.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.975 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -57.64 -38.26 74.73 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.52 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.42 -39.17 89.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -59.87 -47.49 85.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.874 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.549 ' N ' ' CD ' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -60.68 -39.3 87.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.526 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -62.33 -47.15 85.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 110.327 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -64.91 -38.56 91.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.569 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -58.26 -45.36 87.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.733 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.3 ttt -61.9 -40.42 95.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.7 m -59.35 -40.43 86.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.901 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.2 -38.22 82.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.705 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.89 -32.07 71.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.009 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -88.31 10.22 20.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.949 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.806 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 mmt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.824 0.345 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -57.46 -37.55 73.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.677 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.2 79.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.689 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.61 87.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.699 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -94.06 -16.12 24.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.739 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -58.05 -39.01 77.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.534 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -59.2 -38.94 81.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.694 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 77' ' ' ALA . 98.0 mt -60.14 -38.97 84.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.711 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.02 -42.73 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.804 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.64 -36.25 83.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.826 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -90.3 -60.89 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.018 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . -110.16 148.54 31.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.968 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.69 105.95 3.22 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.6 tp -102.61 134.03 46.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.558 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.5 ' OG1' HG12 ' A' ' 82' ' ' VAL . 71.4 p -120.42 163.38 17.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.78 ' OD1' HD21 ' A' ' 122' ' ' LEU . 96.6 m-20 -57.67 -36.62 72.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.982 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.5 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.9 p -52.99 -37.73 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.826 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.41 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 76.5 m80 -57.79 -41.83 82.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.481 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -58.71 -44.58 90.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.437 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -62.75 -35.73 80.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.823 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.73 -58.76 5.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.337 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.8 tt -62.39 -30.06 48.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.676 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.56 -39.76 94.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.441 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.6 -36.56 81.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.533 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -58.29 -38.26 76.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.91 -39.46 89.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.512 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.621 HG13 HG21 ' A' ' 105' ' ' ILE . 72.9 t -63.54 -42.96 97.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.688 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.1 mt -63.6 -36.35 83.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.773 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.6 m -58.91 -42.07 88.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.737 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.723 HD12 HG23 ' A' ' 105' ' ' ILE . 77.0 mt -62.89 -35.51 80.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.597 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.47 ' OE1' HD11 ' A' ' 105' ' ' ILE . 14.8 mm100 -59.7 -36.19 76.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.493 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.8 -31.23 72.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.54 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.422 ' HB2' HG23 ' A' ' 100' ' ' VAL . 56.9 mt -82.16 1.35 36.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.665 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 61.35 50.31 4.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.924 0.393 . . . . 0.0 110.543 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.422 HG23 ' HB2' ' A' ' 98' ' ' LEU . 46.5 t -103.01 138.86 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.449 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.2 t -55.07 140.67 37.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.752 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.558 ' HA ' HD12 ' A' ' 105' ' ' ILE . 13.8 tp60 -59.0 -36.75 75.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.119 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -55.77 -43.11 76.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.825 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.83 -36.97 83.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.31 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.723 HG23 HD12 ' A' ' 95' ' ' LEU . 81.8 mt -60.7 -40.0 83.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.582 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.16 -39.78 79.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.549 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.93 -37.07 83.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.339 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.69 -39.42 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.631 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 113' ' ' GLY . 70.1 t -59.61 -41.52 85.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.708 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.6 m -60.48 -41.39 94.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.5 mt -59.37 -50.87 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.923 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.6 m -80.6 -22.55 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.646 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -79.57 78.28 1.78 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.5 m -120.53 141.04 50.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 110.372 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.505 HG12 ' OD1' ' A' ' 119' ' ' ASN . 69.4 t -67.39 -42.16 87.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.008 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -59.57 -44.41 93.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -64.8 -46.96 79.83 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.461 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.588 ' NH2' ' OD2' ' A' ' 81' ' ' ASP . 78.0 ttt-85 -60.48 -43.46 96.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.391 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.505 ' OD1' HG12 ' A' ' 115' ' ' VAL . 9.3 m120 -62.86 -36.07 82.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.75 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.488 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 91.4 m-20 -58.48 -38.9 78.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.4 t -61.72 -43.65 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.373 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.78 HD21 ' OD1' ' A' ' 81' ' ' ASP . 98.7 mt -65.27 -29.57 70.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.806 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.488 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 78.5 m-20 60.79 44.14 11.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.331 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.544 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.9 t80 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.898 0.38 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -57.59 -41.47 81.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.752 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.0 -42.29 86.62 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -62.06 -39.87 93.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.404 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.27 -40.45 86.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.604 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.3 tp -57.83 -37.83 74.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.633 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.84 93.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.723 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.4 ' O ' HG22 ' A' ' 31' ' ' VAL . 60.2 t0 -90.43 101.8 14.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.964 0.411 . . . . 0.0 110.769 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.68 -27.4 61.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.102 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -54.65 -41.16 69.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.651 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 28' ' ' ASP . 27.2 m -78.05 -31.39 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.904 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.19 -33.2 69.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 36' ' ' VAL . 77.1 mtp85 -55.88 -39.62 71.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.088 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -69.0 -31.7 70.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.347 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.506 ' O ' ' O ' ' A' ' 38' ' ' THR . 89.0 m-85 -85.42 6.98 24.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.368 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 33' ' ' ARG . 53.8 t -57.47 -43.12 82.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.435 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -60.22 -33.58 72.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.506 ' O ' ' O ' ' A' ' 35' ' ' PHE . 49.0 m -99.75 141.89 31.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.858 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.442 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.3 p30 -76.87 167.48 21.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.561 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.2 mtt -61.32 -34.69 75.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.285 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.48 -58.98 6.15 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.044 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -62.58 -31.93 72.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.657 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.579 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 59.3 tt0 -55.41 -40.96 72.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.709 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -60.08 -38.48 83.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.653 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -59.65 -38.43 81.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.655 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -59.41 -45.59 91.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.795 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.579 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -61.33 -39.22 89.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.694 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -61.17 -49.08 78.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 110.117 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -68.14 -38.07 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.586 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -60.4 -49.08 79.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.052 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 57.4 ttm -62.83 -40.3 97.01 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.701 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.6 m -60.7 -42.39 97.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -62.0 -41.88 98.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.527 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.6 72.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.702 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -75.77 10.11 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.681 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.2 mmt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.868 0.366 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.536 ' NH1' ' O ' ' A' ' 124' ' ' ARG . 95.2 mtt180 -60.46 -38.24 83.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.963 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.0 77.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.858 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.42 -36.16 82.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.76 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -100.02 -11.87 20.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.11 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' ARG . 50.1 tt0 -58.03 -40.69 81.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 110.708 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.56 -38.6 85.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.665 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' A' ' 77' ' ' ALA . 67.7 mt -60.72 -39.88 90.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.779 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.73 -41.58 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.23 -35.86 81.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -91.31 -61.38 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.944 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.31 148.55 31.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.867 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.36 108.78 3.46 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.8 tp -102.46 133.17 47.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 0.0 110.67 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.529 ' OG1' HG12 ' A' ' 82' ' ' VAL . 69.8 p -121.29 165.42 15.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.702 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.708 ' OD1' HD21 ' A' ' 122' ' ' LEU . 96.0 m-20 -56.89 -37.0 70.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.016 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.529 HG12 ' OG1' ' A' ' 80' ' ' THR . 3.5 p -52.76 -38.13 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.908 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.411 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 78.4 m80 -58.38 -41.08 84.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.451 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -58.46 -42.86 88.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.515 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.95 -36.75 77.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.76 -59.6 3.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.078 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.4 tt -62.49 -29.99 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.62 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.72 -39.13 93.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.487 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -61.53 -37.58 84.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.468 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.7 -37.56 76.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.558 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.6 tp -60.23 -40.39 90.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.436 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.6 t -63.87 -42.5 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.803 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 75.5 mt -62.24 -36.9 83.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.722 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.9 m -59.71 -41.88 91.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.564 HD12 HG23 ' A' ' 105' ' ' ILE . 56.7 mt -63.19 -35.18 79.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.613 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -59.16 -37.35 77.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.894 0.378 . . . . 0.0 110.48 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.35 -31.62 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.553 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.442 ' HB2' HG23 ' A' ' 100' ' ' VAL . 59.4 mt -81.6 -0.81 44.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.664 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 61.15 50.93 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.57 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.442 HG23 ' HB2' ' A' ' 98' ' ' LEU . 46.1 t -101.78 138.68 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.421 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.6 t -57.29 142.48 43.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.721 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.571 ' HA ' HD12 ' A' ' 105' ' ' ILE . 27.4 tp60 -59.59 -37.04 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.187 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -55.93 -42.93 76.87 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.951 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.31 -36.46 83.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.445 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 102' ' ' GLN . 83.0 mt -60.14 -40.42 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.61 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.16 -40.26 80.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.47 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.09 -36.03 83.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.371 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.34 -39.78 86.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.652 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.584 ' O ' ' N ' ' A' ' 113' ' ' GLY . 75.4 t -60.64 -40.45 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.81 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.5 m -58.91 -41.36 87.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 89.6 mt -58.7 -50.59 78.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.869 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.6 m -84.36 -19.43 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.648 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -76.57 12.57 10.14 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.4 m -59.06 143.7 47.69 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.37 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 69.1 t -67.18 -40.95 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -58.48 -43.47 88.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.19 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -63.29 -45.34 91.88 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.517 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -59.28 -43.16 92.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.408 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -61.95 -36.49 81.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.745 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.489 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.8 m-20 -59.51 -37.61 78.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.815 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.86 -43.9 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.346 . . . . 0.0 110.422 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.708 HD21 ' OD1' ' A' ' 81' ' ' ASP . 88.5 mt -73.35 -18.99 61.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.489 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 86.4 m-20 59.94 44.25 13.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.934 0.397 . . . . 0.0 110.576 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.536 ' O ' ' NH1' ' A' ' 67' ' ' ARG . 61.5 mtp85 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.555 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.3 t80 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.871 0.367 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -58.86 -43.01 90.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.896 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.46 -44.13 95.5 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -62.19 -40.86 97.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.832 0.348 . . . . 0.0 110.411 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.0 t -63.2 -41.37 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.731 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.8 tp -58.29 -37.27 74.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.5 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.22 -35.37 78.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -83.59 99.88 10.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.951 0.405 . . . . 0.0 110.755 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.21 -27.25 61.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.052 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 -54.99 -41.5 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.567 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.7 m -78.88 -30.46 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -57.7 -32.06 67.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.572 ' O ' HG23 ' A' ' 36' ' ' VAL . 74.9 mtp85 -54.4 -39.67 67.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.192 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -67.64 -31.42 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.291 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -84.19 7.32 19.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.199 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 33' ' ' ARG . 53.2 t -58.52 -39.73 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.483 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -84.57 4.7 30.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.6 m -120.92 141.75 50.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.379 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 23.2 p-10 -77.06 163.19 26.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.019 0.437 . . . . 0.0 111.015 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 98.7 mmm -61.46 -34.9 76.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.319 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.32 -56.64 14.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.464 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.434 ' CG ' ' OD1' ' A' ' 39' ' ' ASP . 62.1 mmtt -61.43 -34.56 75.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.982 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.592 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 59.1 tt0 -55.39 -44.08 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.791 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -61.69 -37.07 82.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.625 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.61 -40.25 91.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -59.69 -44.62 93.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.619 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.592 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -60.56 -36.7 79.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.73 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -59.57 -48.61 80.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.185 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -66.93 -39.64 87.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.45 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.01 -46.05 90.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.889 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.7 tpt -61.63 -39.74 92.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.7 m -60.21 -40.11 88.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.781 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -59.85 -37.8 80.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.713 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.75 ' O ' HG21 ' A' ' 111' ' ' ILE . . . -60.02 -31.1 69.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -92.39 13.32 19.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.791 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.809 0.337 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.3 -37.05 81.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.485 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.55 -34.9 79.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.5 -37.91 87.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.842 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -93.61 -15.84 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.755 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -58.67 -39.01 79.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.752 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -58.47 -39.85 81.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.749 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.484 ' O ' ' O ' ' A' ' 77' ' ' ALA . 73.9 mt -62.67 -38.6 90.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.737 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.3 -42.28 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.68 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -64.17 -36.11 82.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -89.28 -61.37 1.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.484 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.28 148.99 30.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.27 101.98 2.66 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.569 -1.013 . . . . 0.0 110.569 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.6 tp -103.19 133.07 48.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 110.44 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.577 ' OG1' HG12 ' A' ' 82' ' ' VAL . 28.0 p -122.09 167.7 12.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.666 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.783 ' OD1' HD21 ' A' ' 122' ' ' LEU . 95.7 m-20 -53.63 -34.34 58.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.544 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.577 HG12 ' OG1' ' A' ' 80' ' ' THR . 3.7 p -49.07 -38.25 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.677 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.422 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 77.5 m80 -58.24 -43.92 88.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.883 0.373 . . . . 0.0 110.291 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -60.2 -44.43 95.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.386 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.49 -36.85 79.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.782 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.18 -59.46 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -62.97 -32.56 56.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.569 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.95 -41.7 86.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.433 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.06 -36.67 82.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.454 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -57.44 -38.5 74.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.518 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.27 -40.03 92.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.22 -44.11 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.746 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.8 mt -63.41 -34.91 78.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.721 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.8 m -57.42 -41.59 80.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.681 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.668 HD12 HG23 ' A' ' 105' ' ' ILE . 69.5 mt -62.93 -36.63 84.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.559 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.45 -36.92 79.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.446 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.98 -32.48 73.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.287 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.485 ' HB2' HG23 ' A' ' 100' ' ' VAL . 84.4 mt -79.48 -2.57 42.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.532 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.2 t30 61.04 49.68 5.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.163 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.485 HG23 ' HB2' ' A' ' 98' ' ' LEU . 47.3 t -100.63 139.7 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.457 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.8 t -52.11 139.62 22.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.608 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.491 ' HA ' HD12 ' A' ' 105' ' ' ILE . 67.8 tp60 -59.08 -35.97 74.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.092 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -54.94 -42.73 72.66 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.763 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.82 -37.52 84.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 110.243 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.668 HG23 HD12 ' A' ' 95' ' ' LEU . 79.7 mt -62.19 -38.61 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.615 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -57.97 -39.87 79.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.571 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.67 -37.84 85.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.28 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.12 -39.13 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.547 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.09 -40.76 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.83 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 48.5 m -59.95 -41.33 91.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.052 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.75 HG21 ' O ' ' A' ' 54' ' ' ALA . 93.1 mt -57.44 -49.31 80.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.779 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.3 m -80.83 -17.75 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.992 0.425 . . . . 0.0 110.397 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 114' ' ' SER . . . -54.33 -25.47 33.62 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' GLY . 72.2 m -38.62 112.72 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.922 0.391 . . . . 0.0 110.634 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.89 -35.8 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.049 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -50.75 -41.79 56.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -62.49 -43.49 98.68 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.211 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.63 HH21 ' CB ' ' A' ' 81' ' ' ASP . 74.2 ttt180 -59.0 -40.49 85.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.496 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -59.3 -36.73 76.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.836 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.495 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.8 m-20 -59.34 -38.74 81.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.689 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.42 -44.03 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 0.0 110.457 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.783 HD21 ' OD1' ' A' ' 81' ' ' ASP . 95.8 mt -66.22 -30.81 71.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.882 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.495 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 81.4 m-20 60.22 44.36 12.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.622 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.528 179.916 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.5 t80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.88 0.371 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -60.92 -41.8 96.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.811 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.1 -45.88 92.07 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -61.82 -39.24 91.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.385 . . . . 0.0 110.453 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.8 -41.03 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.464 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.5 tp -59.23 -36.35 75.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.377 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.86 -36.69 79.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -84.45 103.94 14.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.964 0.411 . . . . 0.0 110.777 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -72.84 -27.87 62.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -53.58 -41.77 66.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.505 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 31' ' ' VAL . 21.9 m -77.88 -31.5 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.608 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -57.19 -30.87 64.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.524 ' O ' HG23 ' A' ' 36' ' ' VAL . 72.1 mtp85 -53.73 -39.98 65.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.927 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -70.25 -29.74 66.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.199 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 38' ' ' THR . 96.2 m-85 -88.47 9.3 24.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.304 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 33' ' ' ARG . 55.2 t -56.77 -39.65 65.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.513 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -84.41 3.94 33.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.488 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' PHE . 53.8 m -123.73 139.74 53.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 53.2 p30 -78.79 165.79 23.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 110.578 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.4 mtt -61.05 -35.81 77.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.403 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.1 -55.86 27.6 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.033 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -62.16 -35.5 78.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.608 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 60.4 tt0 -57.11 -44.98 83.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.841 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -60.86 -35.66 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.341 . . . . 0.0 110.729 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -59.5 -41.31 89.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.796 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -61.34 -44.44 97.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.9 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.608 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.5 OUTLIER -59.66 -38.24 80.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.696 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -60.48 -46.94 88.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.953 0.406 . . . . 0.0 110.092 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -66.41 -40.23 89.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.385 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.09 -46.04 92.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.562 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.8 ttt -60.77 -40.65 93.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.778 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.2 m -62.01 -39.65 92.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -60.37 -38.02 82.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.07 -31.25 68.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.921 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -89.69 11.32 20.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.729 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.3 mmt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.878 0.37 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 71' ' ' GLN . 77.6 mtt85 -57.79 -36.99 72.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.9 85.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.68 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.78 85.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.609 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -93.33 -14.73 26.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' ARG . 41.5 tt0 -57.8 -37.83 74.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -55.8 -40.13 72.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.496 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' A' ' 77' ' ' ALA . 93.1 mt -63.46 -38.36 90.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.406 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.411 HG21 HD22 ' A' ' 123' ' ' ASN . 73.1 t -64.25 -40.29 88.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.957 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -62.48 -36.11 81.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.963 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -92.77 -61.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.981 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.44 146.06 36.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.822 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -83.91 113.93 3.81 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 79' ' ' LEU . 41.4 tp -103.68 131.27 51.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.752 0.31 . . . . 0.0 110.675 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.5 ' OG1' HG12 ' A' ' 82' ' ' VAL . 51.0 p -121.39 166.5 14.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.722 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.747 ' OD1' HD21 ' A' ' 122' ' ' LEU . 95.2 m-20 -56.77 -36.62 70.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.877 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.5 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.6 p -51.62 -40.14 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.543 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.461 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 77.3 m80 -59.14 -41.33 88.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.959 0.409 . . . . 0.0 110.264 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.05 -44.58 87.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.542 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -63.28 -33.99 76.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.941 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.0 -61.3 2.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.42 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.2 tt -62.82 -31.5 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.551 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.38 -41.8 84.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.553 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.65 -36.94 82.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.535 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.42 -37.77 76.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.622 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.2 tp -61.28 -39.36 90.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.441 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.507 HG13 HG21 ' A' ' 105' ' ' ILE . 71.3 t -62.94 -43.61 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.8 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.49 -36.63 84.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.732 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.2 m -59.11 -41.95 89.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.852 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.76 HD12 HG23 ' A' ' 105' ' ' ILE . 77.8 mt -63.03 -36.02 82.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -59.99 -36.73 77.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.495 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.59 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.499 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.417 ' HB2' HG23 ' A' ' 100' ' ' VAL . 57.2 mt -81.03 0.87 33.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.7 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 47.6 t30 61.92 49.93 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.562 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 98' ' ' LEU . 47.2 t -103.14 138.37 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.0 t -54.31 140.78 32.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.588 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.491 ' HA ' HD12 ' A' ' 105' ' ' ILE . 58.8 tp60 -58.46 -36.87 74.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.1 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -55.84 -42.75 76.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.815 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.21 -37.53 83.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.398 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.76 HG23 HD12 ' A' ' 95' ' ' LEU . 80.4 mt -61.73 -39.8 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.646 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -58.31 -38.75 77.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.801 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.16 -36.99 85.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.578 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.78 -41.24 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.507 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 113' ' ' GLY . 75.9 t -62.23 -40.42 87.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.678 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.5 m -58.21 -40.44 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.5 mt -57.03 -50.78 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.612 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.08 -21.97 8.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.481 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -73.28 64.59 1.68 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.0 m -116.37 140.72 49.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.837 0.351 . . . . 0.0 110.405 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.535 HG12 ' OD1' ' A' ' 119' ' ' ASN . 69.5 t -66.87 -41.23 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.056 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.64 -43.89 89.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.144 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -63.8 -47.39 81.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.375 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.589 ' HE ' ' CG ' ' A' ' 81' ' ' ASP . 73.9 ttt180 -61.25 -42.09 98.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.603 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.535 ' OD1' HG12 ' A' ' 115' ' ' VAL . 9.0 m120 -60.52 -36.1 77.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.496 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 91.1 m-20 -59.13 -39.02 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.68 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.9 t -63.29 -44.07 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.482 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.747 HD21 ' OD1' ' A' ' 81' ' ' ASP . 89.7 mt -65.41 -31.67 72.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.496 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 83.3 m-20 59.28 43.56 16.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.173 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.531 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.1 t80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.866 0.365 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -58.09 -41.37 83.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.83 -45.84 90.93 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -62.82 -37.35 86.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.523 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.9 t -62.53 -42.61 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.536 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.6 tp -59.98 -37.52 79.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.501 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.81 84.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -85.21 103.11 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 110.76 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.17 -27.04 61.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 -53.97 -41.92 68.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.456 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.4 m -79.97 -29.92 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.78 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -57.69 -31.0 65.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.022 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.695 ' O ' HG13 ' A' ' 36' ' ' VAL . 84.6 mtm180 -54.18 -39.27 66.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.898 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -70.5 -29.6 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.321 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -88.02 10.48 18.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.586 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 33' ' ' ARG . 32.9 m -63.01 -34.1 64.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.497 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -86.61 4.15 41.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.4 m -124.49 140.95 52.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.477 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 42' ' ' LYS . 48.2 p30 -75.21 160.43 30.4 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.465 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mtp -61.44 -36.3 79.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.55 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.85 -57.06 12.15 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.086 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.464 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 78.9 tttt -60.81 -34.36 74.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.915 0.388 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.589 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 60.1 tt0 -54.77 -41.24 70.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.894 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -59.24 -36.43 75.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.94 0.4 . . . . 0.0 110.604 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -59.42 -40.31 86.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.764 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -60.73 -46.39 90.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -61.29 -37.54 83.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.686 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -60.07 -48.62 80.94 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.289 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -66.74 -39.1 87.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.413 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.92 -48.47 81.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.831 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.2 ttt -63.11 -40.46 97.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.786 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.5 m -61.92 -39.67 92.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.641 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -59.46 -36.55 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.807 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.65 ' O ' HG21 ' A' ' 111' ' ' ILE . . . -56.93 -29.89 63.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.717 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -91.68 7.25 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.761 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.733 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.591 0.234 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.568 ' NH2' ' OD1' ' A' ' 120' ' ' ASP . 78.8 mtt85 -59.59 -38.95 82.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.701 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.68 83.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.689 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.56 83.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.715 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -95.43 -17.1 21.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' ARG . 1.7 tt0 -58.75 -38.92 79.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.788 0.328 . . . . 0.0 110.637 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.57 -38.95 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.613 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.48 ' O ' ' O ' ' A' ' 77' ' ' ALA . 76.1 mt -60.47 -40.61 91.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.69 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.74 -42.63 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.83 -35.73 82.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -89.75 -60.96 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.944 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.48 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -108.16 146.32 32.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.773 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.0 120.81 5.31 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.6 tp -104.31 132.44 50.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.589 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.436 ' OG1' ' ND1' ' A' ' 83' ' ' HIS . 62.3 p -120.0 162.09 19.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.609 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -58.81 -38.72 79.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.831 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.415 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.9 p -57.26 -37.69 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.98 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.436 ' ND1' ' OG1' ' A' ' 80' ' ' THR . 38.8 m80 -58.2 -44.95 88.37 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.638 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -61.14 -45.56 94.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.994 0.426 . . . . 0.0 110.275 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -64.52 -34.05 77.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.98 -60.18 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.452 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.0 tt -62.91 -26.51 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.645 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.69 -40.7 95.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.69 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.14 -36.01 82.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.638 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -56.86 -38.65 73.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.413 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.6 tp -62.51 -39.64 94.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.429 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.99 -43.28 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.755 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.31 -36.19 81.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.755 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.7 m -58.05 -42.31 85.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.603 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.67 HD12 HG23 ' A' ' 105' ' ' ILE . 73.7 mt -64.74 -35.24 80.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.654 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.456 ' OE1' ' CD1' ' A' ' 105' ' ' ILE . 28.6 mm100 -59.66 -37.89 79.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.494 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.31 -31.77 73.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.513 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.463 ' HB2' HG23 ' A' ' 100' ' ' VAL . 57.5 mt -80.26 -2.03 43.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.63 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 60.56 50.25 5.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.52 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.463 HG23 ' HB2' ' A' ' 98' ' ' LEU . 47.0 t -101.57 139.28 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.472 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.5 t -54.03 140.51 31.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.643 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.544 ' HA ' HD12 ' A' ' 105' ' ' ILE . 22.9 tp60 -59.21 -36.33 75.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.091 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -55.28 -42.8 74.05 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.862 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.05 -37.14 83.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.356 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.67 HG23 HD12 ' A' ' 95' ' ' LEU . 84.0 mt -61.14 -39.93 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.708 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.27 -39.85 80.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.509 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.44 -37.4 85.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.559 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.14 -39.38 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.669 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.579 ' O ' ' N ' ' A' ' 113' ' ' GLY . 73.8 t -59.68 -40.85 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.685 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.6 m -59.04 -41.19 87.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.65 HG21 ' O ' ' A' ' 54' ' ' ALA . 83.4 mt -59.25 -51.44 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.811 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.7 m -82.93 -19.69 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.557 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -74.06 13.35 4.52 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.0 m -58.33 135.14 57.11 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.364 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 73.3 t -69.48 -40.93 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -57.56 -43.89 84.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.147 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -63.8 -45.6 88.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.486 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -58.7 -42.79 89.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.43 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 123' ' ' ASN . 86.7 m-20 -61.25 -39.7 91.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.515 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.568 ' OD1' ' NH2' ' A' ' 67' ' ' ARG . 89.5 m-20 -63.81 -43.33 96.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.769 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.99 -44.75 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.656 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 67.5 mt -81.67 -12.55 58.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.612 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.496 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 84.0 m-20 58.09 43.47 20.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.232 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 123' ' ' ASN . 82.1 mtm180 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.623 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.404 ' O ' HG23 ' A' ' 25' ' ' VAL . 74.6 t80 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.837 0.351 . . . . 0.0 110.798 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -58.11 -43.15 86.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.43 -44.68 96.47 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -62.11 -38.83 90.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.937 0.398 . . . . 0.0 110.514 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 21' ' ' PHE . 72.3 t -60.73 -40.26 84.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.698 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -59.48 -35.26 73.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.433 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.67 81.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.82 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -84.78 103.92 14.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.973 0.416 . . . . 0.0 110.757 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -72.79 -28.66 62.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.289 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -54.05 -42.03 68.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.47 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.5 m -80.07 -31.1 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.742 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -56.93 -31.57 65.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.988 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -54.76 -40.15 69.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.919 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -70.92 -29.32 65.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.204 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.486 ' O ' ' O ' ' A' ' 38' ' ' THR . 89.7 m-85 -88.1 5.47 40.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.51 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 51.3 t -57.95 -44.52 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.372 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -61.16 -34.48 75.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.486 ' O ' ' O ' ' A' ' 35' ' ' PHE . 58.9 m -94.91 141.7 28.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.774 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 50.2 p30 -72.86 162.44 29.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.555 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.3 mtt -61.04 -34.9 75.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.356 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.02 -57.03 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.971 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -62.11 -33.81 75.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.48 ' O ' ' OE1' ' A' ' 47' ' ' GLN . 59.5 tt0 -54.79 -39.88 68.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -59.45 -39.68 84.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.579 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -61.92 -40.7 96.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.739 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -61.13 -45.41 94.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.614 ' OE1' ' N ' ' A' ' 47' ' ' GLN . 2.4 mp0 -61.02 -37.66 83.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.473 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -60.71 -47.8 84.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.374 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.24 -40.68 90.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.451 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -61.32 -45.99 92.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.684 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.0 tpt -61.21 -39.6 90.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.733 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.3 m -61.77 -40.26 94.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.763 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -59.75 -36.48 76.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.688 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.79 -29.67 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.671 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -89.12 7.68 33.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.857 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.59 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.657 0.265 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -59.46 -37.48 78.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.676 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.42 84.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.62 -37.52 87.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.657 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -88.87 -18.66 27.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.549 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -58.78 -37.27 75.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -56.95 -40.57 76.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.745 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.58 ' O ' ' N ' ' A' ' 77' ' ' ALA . 75.0 mt -63.73 -37.29 86.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.565 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.54 -37.97 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.0 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -59.94 -37.82 80.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.966 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -111.89 -61.16 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.374 . . . . 0.0 110.92 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . -74.73 147.15 41.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -101.11 86.78 0.63 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.8 tp -100.27 130.55 46.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 110.517 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.497 ' OG1' HG12 ' A' ' 82' ' ' VAL . 39.9 p -124.08 169.3 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.543 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.777 ' OD1' HD21 ' A' ' 122' ' ' LEU . 95.5 m-20 -53.56 -36.33 61.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.657 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.497 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.4 p -53.43 -39.64 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.934 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.455 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 74.4 m80 -58.33 -41.69 85.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.497 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -57.66 -43.43 84.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.256 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.82 -35.22 79.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.798 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.75 -61.16 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.281 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.5 tt -62.84 -26.18 40.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.685 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.2 99.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.687 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.01 -36.4 84.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.712 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -58.77 -38.14 77.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.446 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.78 -39.53 91.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.373 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.506 HG13 HG21 ' A' ' 105' ' ' ILE . 71.3 t -63.76 -44.08 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.614 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.3 mt -63.42 -36.11 82.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.674 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.6 m -58.67 -42.08 87.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.17 -35.61 81.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.593 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -59.47 -36.89 76.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.481 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.66 -31.59 72.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.463 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.462 ' HB2' HG23 ' A' ' 100' ' ' VAL . 59.0 mt -80.91 -0.77 40.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.705 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 61.05 50.38 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.534 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 98' ' ' LEU . 44.0 t -102.41 139.55 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.457 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.4 t -54.36 141.5 30.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.815 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 105' ' ' ILE . 65.5 tp60 -59.3 -35.12 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.137 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.12 -41.9 68.88 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.742 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.42 HD12 ' CG1' ' A' ' 100' ' ' VAL . 78.4 mt -65.56 -37.24 86.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.237 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.506 HG21 HG13 ' A' ' 92' ' ' VAL . 82.4 mt -61.26 -38.93 80.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.683 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -58.02 -40.66 81.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.492 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.55 -36.93 85.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.436 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.16 -39.19 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.673 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.573 ' O ' ' N ' ' A' ' 113' ' ' GLY . 73.2 t -59.69 -41.26 84.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.1 m -59.86 -41.54 91.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.8 mt -59.91 -51.48 72.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.811 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 20.7 m -82.21 -20.59 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.637 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -76.41 9.97 18.77 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.7 m -59.64 135.54 57.71 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.395 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 72.9 t -70.07 -40.51 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.135 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -57.56 -43.08 84.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -62.38 -44.99 95.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.375 . . . . 0.0 110.537 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.436 HH21 ' HB3' ' A' ' 81' ' ' ASP . 62.6 ttt180 -58.66 -41.07 85.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.481 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -60.51 -36.25 77.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.933 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.486 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.3 m-20 -58.48 -38.42 77.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.837 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.16 -43.55 96.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.977 0.418 . . . . 0.0 110.511 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.777 HD21 ' OD1' ' A' ' 81' ' ' ASP . 90.4 mt -65.96 -26.64 67.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.801 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.486 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 78.7 m-20 61.49 44.71 9.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.55 -179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.397 179.871 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.5 t80 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.903 0.382 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -59.5 -41.62 90.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.61 -41.59 82.35 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -61.13 -38.65 87.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.429 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.51 -42.55 95.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.614 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.38 -37.58 81.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.52 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.66 91.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.991 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -87.59 106.0 17.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.034 0.445 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -72.83 -27.32 61.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.123 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.5 mtm-85 -55.04 -42.1 72.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.764 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.8 m -78.56 -30.93 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -56.95 -33.52 67.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.694 ' O ' HG13 ' A' ' 36' ' ' VAL . 83.6 mtp180 -56.31 -38.24 71.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.143 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -69.66 -31.09 68.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.45 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -85.01 9.82 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.381 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 33' ' ' ARG . 33.9 m -64.53 -32.55 58.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.46 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -84.26 0.63 48.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.388 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.0 m -126.49 141.27 51.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.321 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 23.9 p-10 -73.13 159.27 33.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.57 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 68.8 mtm -59.89 -34.34 73.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.127 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.49 -58.13 9.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.061 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -62.43 -33.76 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 110.622 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.591 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 59.4 tt0 -54.2 -41.79 69.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.82 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -59.57 -37.0 77.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.692 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -59.11 -39.24 81.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.845 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -59.94 -45.06 93.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.591 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.4 OUTLIER -59.04 -38.84 80.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.41 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -62.73 -48.06 80.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.387 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.43 -41.05 89.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.797 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -61.86 -51.15 69.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.76 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.3 ttp -62.42 -37.81 87.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.294 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -62.17 -37.92 87.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.639 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -57.52 -37.61 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.966 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.05 -33.08 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.871 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -76.28 -5.4 46.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.579 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.672 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.1 mmt . . . . . 0 N--CA 1.461 0.085 0 CA-C-O 120.726 0.298 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.507 ' NH2' ' OD1' ' A' ' 120' ' ' ASP . 77.9 mtt85 -55.74 -39.51 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.791 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.2 90.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.37 80.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -92.01 -17.98 24.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.785 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -59.92 -38.98 83.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.682 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -57.84 -39.44 77.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' A' ' 77' ' ' ALA . 68.9 mt -62.57 -39.71 94.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.613 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.0 t -65.37 -41.91 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.89 -36.41 83.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.856 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -89.08 -61.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.489 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.4 146.61 35.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.705 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.86 126.65 8.07 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.4 HD21 ' CG1' ' A' ' 121' ' ' VAL . 36.2 tp -104.59 132.71 50.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 0.0 110.679 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.56 ' HG1' ' CE1' ' A' ' 83' ' ' HIS . 72.6 p -120.86 161.43 21.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.535 ' CG ' ' NH2' ' A' ' 118' ' ' ARG . 82.9 m-20 -60.53 -36.89 79.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.003 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.492 HG12 ' OG1' ' A' ' 80' ' ' THR . 3.7 p -52.77 -36.96 24.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.0 -178.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.56 ' CE1' ' HG1' ' A' ' 80' ' ' THR . 78.7 m80 -57.47 -45.06 85.24 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.516 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -62.79 -45.04 94.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.28 -37.52 80.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.963 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.13 -59.01 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.133 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.2 tt -62.88 -32.69 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.768 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.85 -43.93 74.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.626 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.63 -37.33 85.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.713 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.09 -38.05 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.735 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.73 -39.96 93.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.677 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.88 -43.35 97.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.581 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.2 mt -64.16 -36.59 84.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.756 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.2 m -58.85 -42.57 89.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.798 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.67 -36.14 82.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.529 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.5 -37.05 79.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.494 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.86 -31.26 72.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.499 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.447 ' HB2' HG23 ' A' ' 100' ' ' VAL . 57.9 mt -81.3 0.35 37.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.696 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 61.89 51.06 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.574 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 98' ' ' LEU . 46.7 t -100.9 138.5 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.432 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.7 t -54.76 140.03 37.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.678 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.485 ' HA ' HD12 ' A' ' 105' ' ' ILE . 68.0 tp60 -59.13 -36.69 75.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.206 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.31 -42.92 74.35 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.683 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.31 -37.23 83.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 110.312 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 102' ' ' GLN . 80.4 mt -62.5 -39.1 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.753 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -57.9 -41.51 82.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.23 -37.87 86.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.4 . . . . 0.0 110.364 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.77 -39.38 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.684 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.567 ' O ' ' N ' ' A' ' 113' ' ' GLY . 79.5 t -60.1 -41.62 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.789 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.6 m -60.36 -41.27 93.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.768 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.4 mt -59.31 -52.0 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.919 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.8 m -81.64 -23.2 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.627 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -87.28 12.62 62.08 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.9 m -58.93 143.78 46.85 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.424 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.439 HG12 ' ND2' ' A' ' 119' ' ' ASN . 71.3 t -67.05 -41.8 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.8 -44.42 93.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.184 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -65.27 -46.93 78.49 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.677 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.535 ' NH2' ' CG ' ' A' ' 81' ' ' ASP . 75.5 ttt-85 -58.95 -43.57 91.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.457 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.439 ' ND2' HG12 ' A' ' 115' ' ' VAL . 86.7 m-20 -63.37 -37.17 86.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.674 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.507 ' OD1' ' NH2' ' A' ' 67' ' ' ARG . 89.8 m-20 -59.47 -39.27 83.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.705 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.4 ' CG1' HD21 ' A' ' 79' ' ' LEU . 76.2 t -62.37 -42.65 96.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.359 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.401 HD11 ' OD1' ' A' ' 81' ' ' ASP . 78.7 mt -81.25 -11.7 59.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.579 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 59.14 40.39 21.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.292 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.484 179.92 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.0 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.801 0.334 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -57.97 -42.08 84.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.764 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.88 -45.1 94.01 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -61.99 -40.59 96.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.87 0.366 . . . . 0.0 110.213 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.02 -41.17 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.4 tp -58.57 -36.64 74.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.388 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.0 76.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.934 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -83.87 103.22 12.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.997 0.427 . . . . 0.0 110.793 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -72.14 -28.5 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.177 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -53.77 -41.84 67.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.827 -178.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.3 m -79.2 -30.55 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -57.25 -31.67 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.555 ' O ' HG23 ' A' ' 36' ' ' VAL . 72.9 mtp85 -53.77 -40.43 66.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.082 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -69.27 -32.18 71.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.204 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -86.01 9.33 17.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.407 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 33' ' ' ARG . 53.5 t -57.31 -38.47 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.435 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -85.47 6.13 28.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.43 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.4 m -120.48 141.64 50.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.433 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 50.6 p30 -76.6 162.67 27.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.744 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.7 mtt -61.76 -35.66 78.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.314 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.49 -58.51 7.34 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.152 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -60.24 -34.22 73.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.904 0.383 . . . . 0.0 110.515 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.584 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 58.2 tt0 -54.48 -41.92 70.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.022 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -61.28 -36.55 80.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.575 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -61.16 -40.88 95.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -60.79 -46.56 90.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.806 0.336 . . . . 0.0 110.807 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.584 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.5 OUTLIER -60.94 -37.82 83.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.794 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -60.25 -46.84 88.41 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.327 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -66.47 -38.52 87.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.478 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.35 -47.56 85.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.052 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.5 ttt -64.7 -41.26 96.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.176 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.8 m -60.13 -43.92 95.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.97 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -63.22 -36.75 84.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.797 ' O ' HG21 ' A' ' 111' ' ' ILE . . . -59.56 -32.69 70.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -87.38 10.34 17.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.442 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.504 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.788 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 mmt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.917 0.389 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.605 HH12 ' C ' ' A' ' 124' ' ' ARG . 86.2 mtt180 -56.53 -38.62 72.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.929 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.47 83.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.711 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.3 -35.34 80.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -97.19 -12.29 23.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.099 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' ARG . 50.8 tt0 -58.46 -37.97 76.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 110.766 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -57.91 -39.81 78.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.492 ' O ' ' O ' ' A' ' 77' ' ' ALA . 59.2 mt -60.99 -40.51 93.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.881 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.0 t -61.96 -40.0 85.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.058 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.3 -36.9 81.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.823 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -95.24 -61.81 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.348 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.76 143.76 40.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 111.199 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.85 119.22 5.19 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.419 ' CD2' HG13 ' A' ' 121' ' ' VAL . 40.1 tp -106.27 130.89 54.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.773 0.32 . . . . 0.0 110.773 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.526 ' OG1' HG12 ' A' ' 82' ' ' VAL . 30.8 p -125.14 164.67 19.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.663 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.849 ' OD2' HD11 ' A' ' 122' ' ' LEU . 95.5 m-20 -57.54 -34.91 69.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.196 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.526 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.8 p -51.13 -38.46 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.824 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.416 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 68.1 m80 -57.91 -41.41 82.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.9 0.381 . . . . 0.0 110.364 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.95 -43.87 91.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.574 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -59.67 -36.69 76.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.187 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.7 -59.01 4.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.494 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.2 tt -62.84 -32.72 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.787 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.21 -40.99 90.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.97 0.415 . . . . 0.0 110.359 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.37 -36.38 82.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.548 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -57.05 -39.05 74.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.532 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.33 -39.63 91.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.321 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.511 HG13 HG21 ' A' ' 105' ' ' ILE . 77.0 t -64.28 -42.84 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.629 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.4 mt -64.34 -36.21 83.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.1 m -58.48 -42.03 86.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.8 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.3 mt -62.9 -36.04 82.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.583 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -60.72 -36.37 78.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.57 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.93 -32.64 73.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.508 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.459 ' HB2' HG23 ' A' ' 100' ' ' VAL . 57.5 mt -83.72 -0.34 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.739 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.4 t30 60.39 51.23 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.617 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.572 ' CG1' HD12 ' A' ' 104' ' ' LEU . 43.5 t -100.16 140.4 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.352 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.9 t -52.7 141.87 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.547 ' OE1' HD12 ' A' ' 105' ' ' ILE . 27.5 tp60 -59.12 -35.68 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.141 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -53.62 -41.35 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.729 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.572 HD12 ' CG1' ' A' ' 100' ' ' VAL . 77.5 mt -65.84 -37.41 86.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.904 0.383 . . . . 0.0 110.328 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.547 HD12 ' OE1' ' A' ' 102' ' ' GLN . 87.1 mt -60.68 -39.65 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.693 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -59.11 -40.16 84.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.627 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.88 -38.28 90.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.441 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 72.2 t -64.93 -40.15 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.678 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 77.8 t -61.55 -41.29 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.89 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 52.5 m -59.49 -40.74 87.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.394 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.797 HG21 ' O ' ' A' ' 54' ' ' ALA . 85.1 mt -58.86 -49.68 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.834 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.534 ' C ' ' H ' ' A' ' 114' ' ' SER . 14.0 m -80.83 -20.14 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.563 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.99 7.04 0.3 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.534 ' H ' ' C ' ' A' ' 112' ' ' VAL . 49.0 m -59.57 131.36 50.71 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.434 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.437 HG12 HD21 ' A' ' 119' ' ' ASN . 73.6 t -70.32 -40.94 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -58.06 -42.57 85.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.428 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -63.1 -46.28 88.1 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.477 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -59.96 -41.64 92.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.402 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.437 HD21 HG12 ' A' ' 115' ' ' VAL . 85.1 m-20 -59.79 -36.41 76.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.704 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.505 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 91.0 m-20 -58.44 -37.13 74.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.521 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.419 HG13 ' CD2' ' A' ' 79' ' ' LEU . 58.0 t -60.94 -43.16 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.353 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.849 HD11 ' OD2' ' A' ' 81' ' ' ASP . 77.5 mt -77.36 -15.96 59.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.737 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.505 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 88.8 m-20 60.6 48.0 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.894 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.605 ' C ' HH12 ' A' ' 67' ' ' ARG . 16.3 mtp180 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.205 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.501 ' O ' HG23 ' A' ' 25' ' ' VAL . 60.1 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.854 0.359 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -60.81 -42.22 97.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.87 -46.96 91.8 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.527 ' NZ ' ' OD1' ' A' ' 90' ' ' ASN . 65.0 tttm -62.5 -39.77 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 110.5 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 21' ' ' PHE . 75.9 t -62.07 -40.43 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.429 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.3 tp -59.23 -36.49 75.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.525 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.13 91.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.62 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.519 ' O ' HG22 ' A' ' 31' ' ' VAL . 58.1 t0 -92.02 101.6 14.14 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.528 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.86 -21.58 60.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.47 ' CZ ' ' OD1' ' A' ' 28' ' ' ASP . 90.2 mtm-85 -52.4 -40.3 61.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.208 -179.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 28' ' ' ASP . 19.6 m -78.38 -31.02 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.69 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -58.73 -31.52 68.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -54.66 -39.36 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.881 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -68.55 -30.77 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.249 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.494 ' O ' ' O ' ' A' ' 38' ' ' THR . 95.3 m-85 -86.16 5.17 35.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.519 -179.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.6 t -57.58 -46.17 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.42 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -62.58 -34.91 77.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.517 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 35' ' ' PHE . 34.7 m -90.5 140.29 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.508 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.8 p30 -75.64 167.96 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.551 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.37 -34.34 75.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.194 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.66 -59.27 5.7 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.969 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.74 -32.48 73.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 0.0 110.544 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.554 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 59.1 tt0 -55.47 -44.2 76.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -62.85 -39.25 93.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.83 0.348 . . . . 0.0 110.438 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -61.48 -39.71 91.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.762 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -58.98 -45.24 91.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.568 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.604 ' OE1' ' N ' ' A' ' 47' ' ' GLN . 0.6 OUTLIER -61.31 -38.36 86.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.542 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -61.58 -50.9 70.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.437 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -66.24 -40.02 89.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.669 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -61.6 -49.33 77.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.785 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.7 ttt -64.88 -46.02 83.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.749 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.1 m -62.04 -40.83 97.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.705 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -61.03 -37.37 82.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.729 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.34 -32.12 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -86.25 5.93 32.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.654 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.921 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.797 0.332 . . . . 0.0 110.685 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 71' ' ' GLN . 96.6 mtt180 -57.87 -36.94 73.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.755 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.36 80.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.746 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.77 85.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -95.4 -14.24 23.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 67' ' ' ARG . 48.6 tt0 -56.95 -40.45 76.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.804 0.335 . . . . 0.0 110.485 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -59.78 -38.46 81.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.451 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.551 ' O ' ' N ' ' A' ' 77' ' ' ALA . 88.8 mt -61.06 -43.3 99.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.825 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.9 t -65.81 -44.03 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.01 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.44 -35.09 79.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.645 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -92.04 -60.55 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . -104.82 150.13 25.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.051 0.453 . . . . 0.0 110.902 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.29 114.65 4.44 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -98.78 135.96 39.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.689 0.28 . . . . 0.0 110.326 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.544 ' OG1' ' ND1' ' A' ' 83' ' ' HIS . 43.4 p -115.01 159.26 21.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.574 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -60.74 -37.43 81.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.248 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 p -57.52 -39.2 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.224 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.544 ' ND1' ' OG1' ' A' ' 80' ' ' THR . 40.9 m80 -57.23 -45.03 84.26 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.698 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -61.43 -45.73 93.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.401 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.04 -35.58 80.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.687 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.34 -59.46 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -63.24 -33.06 58.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.656 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.17 -43.46 78.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.967 0.413 . . . . 0.0 110.504 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.02 -37.16 83.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.422 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.527 ' OD1' ' NZ ' ' A' ' 24' ' ' LYS . 87.4 m-20 -57.68 -37.86 74.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.549 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.72 -40.52 92.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.512 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 72.0 t -65.23 -43.56 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.667 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.23 -35.34 80.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.534 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.5 m -57.97 -40.87 81.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.682 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.44 -37.34 83.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.57 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.9 -37.15 81.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.518 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.04 -33.19 75.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.752 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.415 ' HB2' HG23 ' A' ' 100' ' ' VAL . 60.5 mt -84.47 -0.81 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.7 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 49.2 t30 59.61 52.77 5.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.551 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.415 HG23 ' HB2' ' A' ' 98' ' ' LEU . 40.4 t -93.0 137.55 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.32 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.2 t -55.11 142.62 30.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.647 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.424 ' HA ' HD12 ' A' ' 105' ' ' ILE . 57.7 tp60 -57.22 -37.24 71.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.903 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -56.7 -42.86 79.83 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.757 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.5 -38.0 83.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 110.435 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 102' ' ' GLN . 83.6 mt -62.29 -39.36 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.526 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -58.31 -38.68 77.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.645 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.08 -37.78 88.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.416 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.524 ' O ' HG22 ' A' ' 112' ' ' VAL . 75.0 t -65.67 -39.96 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.585 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.591 ' O ' ' N ' ' A' ' 113' ' ' GLY . 75.2 t -61.55 -41.46 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.766 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.0 m -62.32 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.707 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.9 mt -62.23 -52.11 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 108' ' ' VAL . 20.4 m -79.02 -23.62 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.897 0.38 . . . . 0.0 110.344 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -56.5 -26.09 51.26 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.2 m -41.3 118.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.004 0.43 . . . . 0.0 110.507 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.543 HG12 ' ND2' ' A' ' 119' ' ' ASN . 68.9 t -66.99 -33.78 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.023 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -51.53 -44.26 62.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.948 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -65.34 -45.75 82.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.576 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -58.81 -43.7 90.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.514 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.543 ' ND2' HG12 ' A' ' 115' ' ' VAL . 86.3 m-20 -63.79 -37.85 88.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.455 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 93.2 m-20 -59.62 -39.73 85.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.787 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.95 -43.68 99.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.397 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.1 mt -75.08 -16.32 60.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.511 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 76.3 m-20 60.49 44.46 11.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.547 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 65.4 mtp85 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.561 179.845 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.7 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.776 0.322 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -57.41 -41.49 80.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.04 -44.87 92.86 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -62.52 -41.4 98.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.466 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.17 -45.08 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.505 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.93 -35.85 82.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.487 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.58 -35.95 81.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -85.93 108.67 18.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -73.27 -26.33 61.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.006 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -54.78 -41.94 71.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.445 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.9 m -80.73 -30.08 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.779 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -56.45 -30.53 62.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.515 ' O ' HG23 ' A' ' 36' ' ' VAL . 82.3 mtm180 -53.51 -39.67 64.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.693 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -70.9 -30.5 66.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -87.15 9.71 19.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.24 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 33' ' ' ARG . 54.4 t -58.01 -41.83 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.469 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -86.89 5.84 34.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.49 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.7 m -120.47 141.42 50.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.582 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.8 p30 -82.48 163.95 21.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.764 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.0 mtt -62.38 -35.3 78.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.177 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.45 -59.19 5.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.77 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -62.34 -33.43 74.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.382 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.468 ' HG2' HE21 ' A' ' 47' ' ' GLN . 62.1 tt0 -53.74 -42.06 67.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.79 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -62.72 -38.1 89.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -59.77 -42.48 93.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.442 ' ND1' ' OE1' ' A' ' 47' ' ' GLN . 56.4 t-80 -65.94 -48.91 69.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.604 ' OE1' ' N ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -61.53 -39.94 92.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.683 -179.853 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -61.92 -47.58 84.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.446 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -64.31 -39.62 94.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.436 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -62.68 -46.04 90.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.7 ttt -61.17 -38.8 87.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.73 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.4 m -62.71 -38.57 90.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.748 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -57.86 -37.5 74.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.894 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.68 -33.32 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.902 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -77.65 -2.87 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.766 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 179.556 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.638 0.256 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.27 -39.76 83.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.865 0.364 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.08 83.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.651 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.76 -36.86 85.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.749 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -94.45 -13.23 26.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.76 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -59.42 -37.89 79.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.801 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -57.45 -40.83 79.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.594 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' A' ' 77' ' ' ALA . 76.7 mt -64.39 -38.9 92.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.624 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.16 -41.78 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.31 -35.22 79.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -91.5 -61.79 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.497 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.72 148.79 31.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.32 108.34 2.92 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 36.3 tp -100.76 129.05 46.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.624 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.509 ' OG1' HG12 ' A' ' 82' ' ' VAL . 69.0 p -122.85 166.48 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.624 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.791 ' OD2' HD11 ' A' ' 122' ' ' LEU . 94.3 m-20 -55.27 -34.64 64.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.398 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.509 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.4 p -49.58 -40.23 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.763 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.457 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 76.5 m80 -60.51 -42.79 97.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.422 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -59.24 -44.05 92.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.493 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.28 -35.62 81.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.62 -59.97 4.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.478 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.0 tt -62.07 -26.72 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.579 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.34 96.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -64.59 -35.39 80.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.789 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -56.72 -39.72 74.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.52 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.95 -38.19 90.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.621 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.476 HG13 HG21 ' A' ' 105' ' ' ILE . 70.2 t -62.14 -43.2 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.667 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.15 -36.59 82.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.649 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.4 m -59.11 -43.01 91.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.671 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.35 -36.29 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -60.52 -36.84 79.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.372 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.85 -31.22 72.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.439 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.409 ' HB2' HG23 ' A' ' 100' ' ' VAL . 57.1 mt -83.17 2.93 33.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.592 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 61.98 51.48 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.409 HG23 ' HB2' ' A' ' 98' ' ' LEU . 46.3 t -100.72 138.05 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.3 t -59.43 143.76 48.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.68 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.458 ' HA ' HD12 ' A' ' 105' ' ' ILE . 13.6 tp60 -58.14 -36.11 72.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.894 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -55.49 -42.49 74.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.649 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.2 mt -66.75 -37.61 84.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.418 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.476 HG21 HG13 ' A' ' 92' ' ' VAL . 80.4 mt -62.81 -38.48 81.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.661 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -57.9 -39.4 77.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.658 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.63 -36.23 83.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.522 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.3 t -64.81 -39.77 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.628 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 113' ' ' GLY . 78.3 t -60.81 -41.13 87.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.8 m -60.25 -41.41 93.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.933 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.83 -50.59 78.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.77 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.518 ' C ' ' H ' ' A' ' 114' ' ' SER . 18.9 m -81.69 -19.04 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.518 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -67.67 14.02 0.58 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.518 ' H ' ' C ' ' A' ' 112' ' ' VAL . 60.3 m -58.64 128.74 38.69 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.368 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.68 -41.59 80.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -58.35 -42.43 86.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.086 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -63.51 -45.88 88.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.447 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.56 ' HE ' ' CG ' ' A' ' 81' ' ' ASP . 71.7 ttt180 -59.69 -41.27 90.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -60.21 -36.85 78.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.487 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 90.4 m-20 -58.86 -38.0 77.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.1 t -61.64 -42.19 93.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.664 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.791 HD11 ' OD2' ' A' ' 81' ' ' ASP . 64.1 mt -83.33 -10.91 58.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.776 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.487 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 87.4 m-20 58.27 43.8 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.814 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.422 HH11 ' HB3' ' A' ' 122' ' ' LEU . 65.1 mtt85 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.554 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.7 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.852 0.358 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -60.7 -42.81 97.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.981 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.14 -45.91 93.38 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.588 ' HZ3' ' HB2' ' A' ' 93' ' ' LEU . 10.9 tttt -63.23 -42.66 99.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.3 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.51 -39.59 85.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.18 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 tp -59.13 -36.59 75.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.412 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.41 83.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.408 ' O ' HG22 ' A' ' 31' ' ' VAL . 59.5 t0 -86.01 106.72 17.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.832 0.349 . . . . 0.0 110.52 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -75.91 -20.2 58.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -57.2 -40.54 77.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.256 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 28' ' ' ASP . 13.9 m -81.21 -30.67 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.981 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.19 -33.99 68.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.261 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 36' ' ' VAL . 95.5 mtt180 -56.35 -39.99 73.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.784 0.326 . . . . 0.0 110.92 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -69.89 -32.49 70.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.327 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.494 ' O ' ' O ' ' A' ' 38' ' ' THR . 81.7 m-85 -83.18 5.91 21.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.24 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 33' ' ' ARG . 53.0 t -57.21 -43.23 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.401 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -59.6 -33.71 71.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.585 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 35' ' ' PHE . 62.8 m -98.91 141.62 31.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.732 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.438 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.5 p30 -76.76 165.72 24.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.687 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -61.27 -35.42 77.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.201 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.03 -58.52 8.09 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.962 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -61.94 -33.62 74.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.752 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.589 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 58.8 tt0 -55.0 -41.65 71.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.925 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -60.54 -37.1 80.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.373 . . . . 0.0 110.452 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -60.55 -39.08 86.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.709 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -59.01 -43.4 91.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.743 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -59.61 -38.2 80.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.478 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -61.3 -49.77 75.67 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.317 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -68.35 -41.97 79.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.418 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -63.39 -46.47 86.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.755 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.5 ttt -61.04 -40.83 95.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.72 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.4 m -63.23 -38.03 89.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.657 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -57.75 -37.52 73.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.07 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.84 67.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.97 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -82.19 1.52 35.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.713 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.651 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.773 0.32 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -61.36 -37.03 81.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.553 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.35 -34.19 77.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.748 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.11 88.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.771 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -92.02 -17.57 24.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.766 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -58.99 -37.97 78.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.798 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -58.22 -39.91 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.71 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' A' ' 77' ' ' ALA . 75.5 mt -62.04 -37.85 86.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.505 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.27 -41.85 93.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.773 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.9 -36.15 83.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -89.49 -61.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.78 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.45 146.99 34.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.641 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -84.3 103.09 2.58 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 tp -103.11 131.32 50.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.718 0.294 . . . . 0.0 110.326 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.561 ' OG1' HG12 ' A' ' 82' ' ' VAL . 49.0 p -121.85 168.32 11.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.605 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.731 ' OD2' HD11 ' A' ' 122' ' ' LEU . 94.5 m-20 -54.26 -35.29 62.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.468 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.561 HG12 ' OG1' ' A' ' 80' ' ' THR . 3.2 p -51.11 -38.05 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.69 -179.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.412 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 77.5 m80 -58.39 -44.2 88.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.355 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.423 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 67.4 t80 -60.2 -43.03 96.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.254 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.84 -37.2 81.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.829 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.96 -60.8 2.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.141 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.8 tt -62.69 -26.68 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.921 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' PHE . . . -62.87 -43.85 97.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.839 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.18 -35.79 82.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.591 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.98 -38.63 73.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.522 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.7 tp -63.31 -39.4 94.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.547 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.553 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 75.0 t -64.24 -43.29 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.786 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.588 ' HB2' ' HZ3' ' A' ' 24' ' ' LYS . 82.3 mt -61.14 -36.61 80.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.722 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 50.4 m -60.19 -40.49 90.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.766 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.678 HD12 HG23 ' A' ' 105' ' ' ILE . 78.6 mt -61.63 -36.83 81.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.899 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.704 ' NE2' HD13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -60.14 -35.54 75.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.359 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.66 -32.04 73.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.501 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.441 ' HB2' HG23 ' A' ' 100' ' ' VAL . 59.8 mt -82.67 -0.47 47.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.3 t30 61.07 52.21 4.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.582 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 98' ' ' LEU . 46.5 t -99.68 139.0 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.51 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.4 t -54.44 139.68 36.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.71 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -58.23 -37.34 74.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.228 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -56.93 -43.8 81.85 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.904 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.6 mt -68.55 -39.01 81.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.5 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.704 HD13 ' NE2' ' A' ' 96' ' ' GLN . 94.8 mt -63.63 -37.54 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.02 -39.77 79.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.469 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.77 -35.41 81.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.38 -39.32 84.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.721 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.555 ' O ' ' N ' ' A' ' 113' ' ' GLY . 70.6 t -59.88 -41.6 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.709 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.5 m -60.41 -41.51 94.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.9 mt -59.02 -50.88 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.75 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.9 m -82.2 -22.11 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.529 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -82.29 11.39 50.37 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.9 m -59.28 139.5 56.93 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.401 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 68.9 t -69.12 -42.11 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -59.49 -43.37 93.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.014 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -61.24 -43.3 99.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.91 0.386 . . . . 0.0 110.412 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.553 HH21 ' CB ' ' A' ' 81' ' ' ASP . 78.7 ttt180 -57.71 -39.56 77.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.51 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -58.94 -37.24 76.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.484 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.1 m-20 -59.26 -37.57 77.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.651 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.75 -42.67 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.607 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.731 HD11 ' OD2' ' A' ' 81' ' ' ASP . 79.1 mt -83.16 -10.03 58.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.778 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.484 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 81.3 m-20 58.5 43.96 18.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 122' ' ' LEU . 82.4 mmt-85 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.396 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.1 t80 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.919 0.39 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.564 ' HE2' HD11 ' A' ' 26' ' ' LEU . 66.3 t80 -58.01 -42.26 84.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.974 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.46 -40.84 92.84 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -61.44 -37.19 82.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.819 0.342 . . . . 0.0 110.698 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.7 -41.24 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.564 HD11 ' HE2' ' A' ' 22' ' ' TYR . 73.6 mt -60.72 -34.92 75.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.09 95.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.419 ' OD2' HG13 ' A' ' 31' ' ' VAL . 61.6 t0 -89.88 105.08 17.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.934 0.397 . . . . 0.0 110.795 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -73.06 -28.31 62.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.8 mtm-85 -54.88 -42.27 71.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.767 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.419 HG13 ' OD2' ' A' ' 28' ' ' ASP . 30.0 m -80.11 -29.8 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.718 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -57.41 -34.33 68.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.292 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -52.59 -40.01 62.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.961 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -68.3 -30.45 69.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.172 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.482 ' O ' ' O ' ' A' ' 38' ' ' THR . 97.2 m-85 -94.41 -2.6 51.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.695 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 t -60.57 -47.45 92.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.301 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -63.11 -35.51 80.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.044 0.449 . . . . 0.0 110.095 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.677 HG23 ' NZ ' ' A' ' 42' ' ' LYS . 62.8 m -86.23 141.04 29.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.435 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.496 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 49.7 p30 -68.17 151.65 46.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.993 0.425 . . . . 0.0 110.64 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.4 mtt -61.24 -34.06 74.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.038 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.15 -59.17 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.159 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.677 ' NZ ' HG23 ' A' ' 38' ' ' THR . 6.0 mtmp? -62.43 -33.85 75.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 110.673 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.589 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 60.2 tt0 -56.3 -42.32 77.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -59.67 -38.39 81.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.98 0.419 . . . . 0.0 110.698 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.99 -38.14 84.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -59.93 -45.12 93.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.157 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -59.86 -39.35 84.9 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.857 -179.754 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -61.54 -48.57 80.4 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.047 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -66.53 -40.14 88.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.406 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -61.34 -46.34 90.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.545 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.3 tpt -61.84 -39.94 93.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.63 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 42.5 m -60.86 -42.59 98.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.62 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -61.78 -41.95 98.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.771 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.87 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -75.04 -0.07 17.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.668 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 mmt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.669 0.271 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.93 -40.59 96.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 110.486 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.84 -33.87 75.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.23 -37.57 83.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.674 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -94.22 -16.91 23.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.678 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.34 -37.06 76.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.8 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -55.87 -40.86 73.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.757 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.5 ' O ' ' O ' ' A' ' 77' ' ' ALA . 71.5 mt -64.6 -39.63 94.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.585 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.25 -41.08 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.33 -36.54 84.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.982 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -92.18 -61.26 1.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.203 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.5 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.38 148.73 31.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 0.0 110.991 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -83.75 111.09 3.39 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.4 tp -101.13 132.38 46.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.784 0.326 . . . . 0.0 110.602 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.517 ' OG1' HG12 ' A' ' 82' ' ' VAL . 28.2 p -123.11 166.53 15.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.607 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.592 ' OD1' HD11 ' A' ' 122' ' ' LEU . 94.4 m-20 -56.44 -34.53 66.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.699 -179.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.517 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.2 p -50.37 -38.35 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.807 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.432 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 78.2 m80 -57.94 -42.85 85.73 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.352 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.66 -45.15 95.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.503 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -62.23 -37.97 87.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.46 -57.71 6.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.4 tt -62.37 -30.44 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 110.611 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.36 92.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.64 -37.51 84.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.617 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.69 -37.91 77.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.9 tp -60.68 -38.82 86.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.655 HG13 HG21 ' A' ' 105' ' ' ILE . 78.7 t -62.23 -42.78 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.767 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.3 mt -62.09 -37.12 83.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.593 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.7 m -59.77 -41.76 91.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.683 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.713 HD12 HG23 ' A' ' 105' ' ' ILE . 73.4 mt -62.8 -36.37 82.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.01 -37.03 78.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.511 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.82 -31.29 72.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.528 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.404 ' HB2' HG23 ' A' ' 100' ' ' VAL . 59.5 mt -82.31 1.47 36.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.689 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 61.63 50.64 4.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.641 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.404 HG23 ' HB2' ' A' ' 98' ' ' LEU . 47.2 t -102.98 138.26 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.6 t -56.25 142.84 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.612 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.565 ' HA ' HD12 ' A' ' 105' ' ' ILE . 67.9 tp60 -58.27 -37.01 74.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.123 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -55.88 -42.73 76.35 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.697 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.9 -36.88 83.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.443 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.713 HG23 HD12 ' A' ' 95' ' ' LEU . 81.1 mt -60.73 -40.21 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.675 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -58.42 -40.0 81.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.52 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.24 -36.88 83.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.383 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.56 -39.86 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 113' ' ' GLY . 78.9 t -61.07 -40.87 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.671 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.6 m -60.0 -41.2 91.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.5 mt -58.57 -50.79 77.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.687 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.0 m -82.32 -19.75 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.417 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -88.31 64.72 3.5 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.4 m -115.85 144.37 44.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.422 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.67 -41.5 92.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.25 -44.57 92.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.96 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -64.28 -43.2 95.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.366 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.486 ' NH2' ' OD2' ' A' ' 81' ' ' ASP . 78.3 ttt180 -57.52 -42.34 82.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.573 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -61.94 -39.12 90.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.52 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.2 -38.73 87.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.637 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.48 -41.59 92.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.579 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.592 HD11 ' OD1' ' A' ' 81' ' ' ASP . 68.2 mt -86.44 -5.82 59.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 58.21 43.96 19.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.448 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.555 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.567 ' O ' HG23 ' A' ' 25' ' ' VAL . 67.1 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.734 0.302 . . . . 0.0 110.771 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -59.44 -41.01 88.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.95 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 26' ' ' LEU . . . -56.59 -37.64 76.96 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -82.04 -33.01 30.18 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 21' ' ' PHE . 55.0 t -60.87 -47.57 92.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.526 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.058 HD13 ' N ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -78.87 -15.42 58.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.861 0.362 . . . . 0.0 110.475 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 1.058 ' N ' HD13 ' A' ' 26' ' ' LEU . . . -64.02 -37.58 87.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.347 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -88.15 111.34 21.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.519 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.6 -25.26 63.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -54.73 -42.74 71.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.711 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.9 m -82.91 -27.16 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.948 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -57.11 -29.64 63.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -51.32 -40.79 59.81 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.849 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -71.52 -26.23 62.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.271 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -95.34 8.43 43.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.739 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.0 t -58.11 -40.39 76.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.476 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -85.53 6.19 28.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.621 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.6 m -119.17 138.62 52.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.458 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.439 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 49.5 p30 -77.97 159.45 28.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.67 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.4 mtm -60.72 -35.94 77.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.159 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.36 -57.49 12.57 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.141 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -61.2 -35.88 78.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.611 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.452 ' O ' ' OE1' ' A' ' 47' ' ' GLN . 59.1 tt0 -55.18 -42.76 73.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.315 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -59.3 -35.78 74.41 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.922 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -58.43 -41.49 85.15 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.669 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -62.63 -47.22 84.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.683 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.546 ' N ' ' CD ' ' A' ' 47' ' ' GLN . 0.3 OUTLIER -61.22 -39.03 88.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -61.02 -49.46 77.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 110.402 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -67.64 -36.8 81.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.644 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -58.24 -48.86 79.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.109 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.2 ttm -63.07 -42.41 99.65 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.912 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.0 m -60.95 -43.81 98.17 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -64.9 -39.37 93.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.774 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.38 -33.16 72.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.764 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -75.76 1.73 14.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.612 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 mmt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.767 0.318 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 71' ' ' GLN . 77.6 mtt85 -59.61 -38.21 80.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.94 -35.79 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.739 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.14 85.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.586 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -99.17 -12.43 20.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 67' ' ' ARG . 32.4 tt0 -59.02 -39.41 81.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -57.89 -39.75 78.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.675 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.496 ' O ' ' O ' ' A' ' 77' ' ' ALA . 74.6 mt -63.28 -38.82 92.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.747 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.97 -41.24 91.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.96 -35.61 80.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -92.33 -61.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.081 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.496 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.09 149.88 29.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.942 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.13 112.93 3.8 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.2 tp -99.17 131.08 45.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.456 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.528 ' OG1' HG12 ' A' ' 82' ' ' VAL . 27.8 p -124.61 165.57 17.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.76 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.746 ' OD1' HD21 ' A' ' 122' ' ' LEU . 98.9 m-20 -56.1 -34.42 66.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.739 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.528 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.6 p -46.88 -41.24 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.615 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.481 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 75.0 m80 -60.88 -44.64 96.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.888 0.375 . . . . 0.0 110.361 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -61.28 -43.99 97.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.506 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.89 -37.08 78.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.768 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.74 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.99 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -62.72 -30.69 49.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.492 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.67 87.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.39 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.28 -35.55 80.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.475 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -56.98 -39.01 73.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.819 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.7 tp -63.87 -40.03 95.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.2 t -61.31 -45.06 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.873 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.6 mt -63.59 -36.29 83.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.773 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 48.3 m -59.46 -42.09 91.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.196 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.503 HD12 HG23 ' A' ' 105' ' ' ILE . 71.9 mt -61.17 -36.5 79.99 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.685 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -60.35 -38.19 83.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.276 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.25 -31.99 73.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.465 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.446 ' HB2' HG23 ' A' ' 100' ' ' VAL . 55.0 mt -82.25 -0.09 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.715 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 47.7 t30 61.38 50.81 4.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.597 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' A' ' 98' ' ' LEU . 47.1 t -100.32 139.0 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.461 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.4 t -54.02 140.75 30.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.695 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.481 ' HA ' HD12 ' A' ' 105' ' ' ILE . 61.1 tp60 -59.03 -36.45 75.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.046 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -55.22 -42.26 73.13 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.776 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.5 -37.34 82.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.514 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.503 HG23 HD12 ' A' ' 95' ' ' LEU . 78.1 mt -61.71 -41.09 89.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.747 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -59.2 -40.13 84.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.96 -35.01 79.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.55 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.406 ' O ' HG22 ' A' ' 112' ' ' VAL . 74.3 t -62.67 -39.56 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.762 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 113' ' ' GLY . 65.6 t -60.11 -42.91 91.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 51.0 m -61.98 -43.19 99.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.094 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.06 -50.77 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.978 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 108' ' ' VAL . 17.9 m -79.04 -23.77 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.598 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -82.81 14.65 35.89 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.6 m -58.59 142.32 49.61 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.317 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 71.1 t -68.09 -41.44 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.083 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -58.98 -47.15 86.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.177 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -66.72 -45.07 79.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.437 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 59.1 ttt85 -58.71 -42.28 88.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.68 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -61.53 -37.1 82.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.756 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.648 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 90.3 m-20 -60.79 -38.35 85.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.817 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.3 t -62.29 -45.22 99.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.643 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.746 HD21 ' OD1' ' A' ' 81' ' ' ASP . 96.5 mt -66.84 -30.97 71.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.979 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.648 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 26.4 m120 60.27 45.41 11.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.025 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.549 179.616 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.391 -0.596 . . . . 5.2800000000000002 109.391 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 m -74.77 161.26 29.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 4.0999999999999996 110.586 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.6 tp -50.19 -49.74 51.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 2.7599999999999998 110.352 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 9' ' ' GLY . 46.4 m-85 -55.65 -37.97 68.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 5.2000000000000002 110.669 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.77 -24.24 67.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 4.9500000000000002 110.72 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -80.45 -54.15 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.295 -0.411 . . . . 3.75 110.58 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.7 mt -80.87 -45.32 17.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 2.7000000000000002 110.76 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 5' ' ' TYR . . . 83.55 26.92 40.87 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.878 -0.889 . . . . 2.96 110.878 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.28 137.57 4.7 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.902 -0.879 . . . . 2.3999999999999999 110.902 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.28 -57.94 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 2.48 110.566 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.86 -43.12 13.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 2.2799999999999998 110.626 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.45 -29.79 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 1.8600000000000001 110.603 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.9 t -78.54 -39.48 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 1.48 110.62 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -57.73 -48.13 80.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 2.0600000000000001 110.594 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.598 ' N ' HD22 ' A' ' 16' ' ' LEU . 3.3 mm? -71.25 -50.7 30.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 2.5899999999999999 110.308 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.92 -45.92 31.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 1.05 110.579 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.0 t -73.4 -48.01 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.91000000000000003 110.574 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -50.36 -41.76 52.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 2.3500000000000001 110.562 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -59.01 -51.95 67.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 2.04 110.582 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -61.92 -52.9 62.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.81000000000000005 110.527 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -48.56 -52.79 21.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.72999999999999998 110.603 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.49 -35.19 50.63 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.933 -0.867 . . . . 0.64000000000000001 110.933 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -74.32 -43.69 55.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 2.4199999999999999 110.573 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.5 t -60.38 -26.05 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.68999999999999995 110.59 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.3 tp -69.69 -43.49 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 1.6200000000000001 110.277 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.96 -38.37 70.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.76000000000000001 110.569 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -77.88 88.44 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.68999999999999995 110.55 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -71.18 -1.35 12.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 2.5499999999999998 110.595 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -73.41 -54.42 8.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 2.02 110.608 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.6 m -72.62 -23.2 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.53000000000000003 110.556 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -60.52 -29.09 68.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.46999999999999997 110.565 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 36' ' ' VAL . 56.1 mtp180 -51.93 -29.63 21.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 3.1200000000000001 110.645 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.473 ' CE2' ' HB1' ' A' ' 77' ' ' ALA . 76.6 m-85 -82.28 -35.28 28.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.90000000000000002 110.634 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -79.7 25.61 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.62 110.723 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 33' ' ' ARG . 89.9 t -79.07 -40.17 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 1.4199999999999999 110.464 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -74.43 -40.07 62.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.1599999999999999 110.566 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.4 m -79.92 145.3 32.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.79000000000000004 110.577 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.2 p30 -77.97 168.51 19.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.73999999999999999 110.539 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.6 mtt -69.4 -24.01 63.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 1.8999999999999999 110.602 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.21 -59.01 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.65000000000000002 110.536 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -67.44 -23.6 65.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 2.3900000000000001 110.581 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -56.71 -58.3 8.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.54000000000000004 110.552 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -46.52 -45.62 18.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 1.73 110.59 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -49.98 -33.32 17.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 1.4299999999999999 110.572 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -66.2 -51.89 53.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.40000000000000002 110.564 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.419 ' N ' ' CD ' ' A' ' 47' ' ' GLN . 8.7 mp0 -59.35 -23.51 62.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.68000000000000005 110.506 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -76.14 -58.0 3.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 2.0499999999999998 110.629 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -63.67 -26.13 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.45000000000000001 110.563 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -76.12 -54.54 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.75 110.55 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.8 ttt -58.24 -21.14 47.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 1.23 110.615 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 54' ' ' ALA . 22.3 m -77.98 -56.92 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.56999999999999995 110.578 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.451 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 53.5 t80 -49.88 -17.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.66000000000000003 110.554 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 52' ' ' THR . . . -64.43 -43.8 93.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.53000000000000003 110.601 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -77.55 14.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 1.3799999999999999 110.586 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.54 31.46 50.43 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.928 -0.869 . . . . 0.63 110.928 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 59' ' ' ASP . . . -71.43 65.41 1.03 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.948 -0.861 . . . . 0.90000000000000002 110.948 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.2 p -78.62 31.06 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.802 0.334 . . . . 1.6399999999999999 110.619 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 57' ' ' GLY . 1.2 m-20 -46.84 -56.67 5.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 2.5800000000000001 110.579 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.525 ' O ' ' CG ' ' A' ' 61' ' ' PHE . 51.0 mtm180 -152.89 106.01 3.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.212 -0.449 . . . . 6.5599999999999996 110.405 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 60' ' ' ARG . 90.6 m-85 -159.64 59.47 1.34 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 2.3599999999999999 110.567 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.29 34.54 0.37 Allowed 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.698 2.266 . . . . 4.1900000000000004 111.873 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 65' ' ' SER . . . 47.12 -130.85 13.56 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.985 -0.846 . . . . 3.0899999999999999 110.985 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.8 ttm-85 61.0 -73.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 7.75 110.626 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 63' ' ' GLY . 15.2 p -73.26 -36.6 66.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 2.0299999999999998 110.651 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.4 mmt -51.99 -45.5 64.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.81000000000000005 110.557 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' GLN . 87.7 mtt180 -62.8 -58.89 5.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 1.6599999999999999 110.617 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.33 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.52000000000000002 110.572 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.47 -47.78 69.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.46999999999999997 110.595 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -78.16 -20.95 50.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.39000000000000001 110.626 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 67' ' ' ARG . 54.9 tt0 -61.95 -41.5 98.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 1.54 110.606 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -52.94 -23.96 8.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.65000000000000002 110.588 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.3 mt -76.98 -59.02 2.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.5 110.605 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.6 t -50.85 -17.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.48999999999999999 110.65 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -78.11 -52.24 9.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 2.0299999999999998 110.618 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -89.85 -60.28 1.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.293 -0.412 . . . . 0.93999999999999995 110.628 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.473 ' HB1' ' CE2' ' A' ' 34' ' ' PHE . . . -82.98 138.82 33.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.60999999999999999 110.667 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -81.2 64.85 4.09 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.91 -0.876 . . . . 0.53000000000000003 110.91 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.72 149.28 31.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 0.72999999999999998 110.447 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.521 ' OG1' ' ND1' ' A' ' 83' ' ' HIS . 77.2 p -144.38 -171.98 3.7 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.209 -0.45 . . . . 0.96999999999999997 110.482 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 83' ' ' HIS . 1.7 m-20 -78.0 -54.54 6.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 1.24 110.693 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.7 p -44.99 -17.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.92000000000000004 110.663 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.521 ' ND1' ' OG1' ' A' ' 80' ' ' THR . 31.1 m170 -78.05 -41.13 36.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.71999999999999997 110.574 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' ASP . 36.7 t80 -66.83 -37.68 84.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.64000000000000001 110.574 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.97 -27.93 67.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.92000000000000004 110.566 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.17 -64.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.48999999999999999 110.584 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.5 tt -58.55 -33.09 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.40999999999999998 110.592 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.77 94.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.38 110.549 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -64.35 -50.99 65.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 2.0899999999999999 110.539 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -44.7 -43.07 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.40000000000000002 110.744 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.6 tp -57.46 -46.4 83.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.40000000000000002 110.336 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.41 -44.08 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.41999999999999998 110.776 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.94 -20.89 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.56999999999999995 110.75 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 m -71.9 -46.29 58.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.358 -0.383 . . . . 0.53000000000000003 110.599 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.7 mt -68.69 -22.91 64.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.59999999999999998 110.569 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -73.23 -25.47 60.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 2.1800000000000002 110.463 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -76.22 -31.51 58.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.88 110.582 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.3 mt -77.96 3.63 14.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.91000000000000003 110.514 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.6 t30 61.32 56.16 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 1.1699999999999999 111.024 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 81.1 t -109.46 132.15 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.361 -0.381 . . . . 0.77000000000000002 110.296 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 t -45.58 160.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.93000000000000005 110.66 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -77.1 -45.59 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 1.1799999999999999 110.711 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -44.93 -40.91 6.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 1.05 110.709 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 20.6 mt -73.04 -37.83 66.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.95999999999999996 110.611 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.96 -21.96 21.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.59999999999999998 110.438 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -69.5 -43.7 72.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.71999999999999997 110.479 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.38 -38.03 88.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 2.21 110.536 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.61 -46.74 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.47999999999999998 110.515 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 113' ' ' GLY . 88.0 t -54.99 -37.91 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.52000000000000002 110.548 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.9 m -59.03 -53.73 55.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.66000000000000003 110.618 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.2 mt -47.88 -59.01 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.56000000000000005 110.598 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.7 m -73.54 -12.06 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.60999999999999999 110.624 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -78.93 11.07 29.84 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.907 -0.877 . . . . 0.90000000000000002 110.907 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.2 m -60.32 138.4 57.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.62 110.566 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.0 t -76.12 -30.9 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.80000000000000004 110.546 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -65.55 -61.0 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 1.74 110.567 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -46.79 -40.68 14.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.41999999999999998 110.535 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -68.24 -43.87 76.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 2.0099999999999998 110.526 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -62.4 -27.74 69.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.68999999999999995 110.575 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -68.28 -38.57 81.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.53000000000000003 110.609 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.41 -49.99 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.71999999999999997 110.585 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.3 mt -72.54 -14.13 61.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 1.05 110.503 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 54.19 95.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.90000000000000002 110.591 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.967 -1.016 . . . . 4.4100000000000001 110.434 -179.943 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 125' ' ' HEB . . . . . 0.779 HMB1 HBB2 ' A' ' 125' ' ' HEB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -125.66 148.63 48.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.733 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.432 HD12 ' HD2' ' A' ' 7' ' ' LYS . 18.5 tp -54.64 -34.92 62.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.182 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.694 ' CD1' ' N ' ' A' ' 11' ' ' ALA . 1.2 t80 -51.78 -42.41 62.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.993 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.37 -38.69 90.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.432 ' HD2' HD12 ' A' ' 4' ' ' LEU . 24.8 mttt -64.03 -53.54 48.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.15 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.871 HD12 HG22 ' A' ' 14' ' ' VAL . 72.6 mt -69.44 -36.69 76.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.803 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.45 6.12 71.22 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.523 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -141.0 95.92 0.2 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.694 ' N ' ' CD1' ' A' ' 5' ' ' TYR . . . -62.61 -37.51 86.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.318 . . . . 0.0 110.7 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.13 -40.83 97.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.491 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.64 78.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.667 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.871 HG22 HD12 ' A' ' 8' ' ' LEU . 95.6 t -63.12 -44.63 99.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.848 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -61.96 -41.91 98.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.961 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.15 -40.15 95.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.716 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.33 -36.86 85.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.009 0.433 . . . . 0.0 110.599 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 14' ' ' VAL . 71.9 t -64.39 -39.32 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.961 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -61.7 -39.61 92.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.965 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -63.07 -45.21 93.23 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.281 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 25' ' ' VAL . 61.6 t80 -68.0 -43.38 79.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.762 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -57.92 -43.23 86.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.23 -44.52 94.91 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.499 ' NZ ' ' CD ' ' A' ' 97' ' ' GLU . 0.1 OUTLIER -65.07 -39.89 93.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.913 0.387 . . . . 0.0 110.623 179.764 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.625 HG11 HE21 ' A' ' 47' ' ' GLN . 73.8 t -63.49 -44.8 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.245 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.731 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -70.7 -30.22 66.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.591 -179.708 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.71 -35.69 73.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.69 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -87.16 113.16 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.367 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.73 -20.98 59.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.001 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -57.13 -41.14 78.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.227 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 m -82.11 -28.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.656 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -56.94 -29.82 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.964 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 36' ' ' VAL . 79.2 mtp180 -53.11 -39.28 63.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.498 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -71.94 -30.63 65.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -87.05 8.27 24.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.32 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 33' ' ' ARG . 53.4 t -57.13 -40.8 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.363 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -87.2 5.39 38.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.53 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.5 m -120.99 140.28 52.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.562 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 39' ' ' ASP . 53.0 p30 -79.97 163.24 24.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.785 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -34.33 74.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.8 -57.91 10.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.653 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -62.45 -34.4 76.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.605 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.49 ' O ' ' OE1' ' A' ' 47' ' ' GLN . 60.8 tt0 -55.33 -42.96 74.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -61.86 -37.72 85.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 0.0 110.801 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -59.88 -43.22 94.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.932 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.429 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 55.7 t-80 -64.07 -42.24 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.823 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.625 HE21 HG11 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -59.23 -37.74 78.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.717 -179.84 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.78 -46.83 88.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.827 0.346 . . . . 0.0 110.486 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -66.52 -38.79 87.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -60.46 -50.41 73.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.7 ttt -64.9 -38.58 91.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.4 m -59.03 -43.38 91.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -60.97 -40.36 93.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.595 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.731 ' O ' HG21 ' A' ' 111' ' ' ILE . . . -61.8 -36.08 80.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.717 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -77.23 -4.16 43.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.654 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.97 7.78 60.91 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.08 68.76 2.27 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.572 ' O ' ' N ' ' A' ' 60' ' ' ARG . 54.1 p -67.14 -25.88 66.39 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.318 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.547 ' OD1' ' CE2' ' A' ' 61' ' ' PHE . 41.6 p30 25.91 39.05 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.471 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.572 ' N ' ' O ' ' A' ' 58' ' ' THR . 77.8 mmt-85 53.36 115.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.606 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.547 ' CE2' ' OD1' ' A' ' 59' ' ' ASP . 26.3 m-85 -127.01 72.29 76.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.539 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -80.26 -68.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.768 2.312 . . . . 0.0 112.166 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.06 -131.49 44.83 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 65' ' ' SER . 36.2 ptt-85 -123.67 27.65 7.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.684 0.278 . . . . 0.0 110.388 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 6.2 p 92.3 119.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.34 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.6 mmt -57.95 -34.54 70.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.914 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -57.21 -40.67 77.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.661 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.44 -38.56 81.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.782 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.03 86.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.98 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -93.2 -9.51 39.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.981 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -57.78 -38.28 75.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.787 0.327 . . . . 0.0 110.621 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -57.17 -39.81 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.697 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.593 HD11 HMD2 ' A' ' 125' ' ' HEB . 75.2 mt -62.51 -39.97 95.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.509 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.4 t -67.04 -42.37 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -64.09 -35.63 81.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.178 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -88.65 -62.28 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.092 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.75 146.89 35.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.802 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.53 113.4 3.81 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 tp -99.35 129.51 45.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.596 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.492 ' OG1' HG12 ' A' ' 82' ' ' VAL . 74.6 p -125.23 168.04 14.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.807 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.727 ' OD1' HD11 ' A' ' 122' ' ' LEU . 94.1 m-20 -55.49 -37.7 68.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.705 -179.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.492 HG12 ' OG1' ' A' ' 80' ' ' THR . 3.4 p -54.58 -39.24 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.594 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.445 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 50.9 m80 -60.25 -44.12 95.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.388 . . . . 0.0 110.451 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.41 ' CD1' HG21 ' A' ' 121' ' ' VAL . 65.5 t80 -59.9 -44.88 94.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.358 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -64.58 -33.42 75.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.6 -60.09 3.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.401 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.2 tt -63.51 -27.83 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.545 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.54 -42.61 95.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.624 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.75 -34.69 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.631 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -55.52 -39.4 70.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.422 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.9 tp -64.64 -39.91 94.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.526 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.659 HG13 HG21 ' A' ' 105' ' ' ILE . 71.6 t -64.64 -45.24 95.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.678 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.0 mt -64.79 -34.99 79.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.8 m -57.96 -43.22 86.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.623 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.603 HD12 HG23 ' A' ' 105' ' ' ILE . 77.1 mt -65.44 -36.06 82.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.538 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.57 -38.09 83.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.696 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.499 ' CD ' ' NZ ' ' A' ' 24' ' ' LYS . 96.6 mt-10 -64.64 -30.7 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.0 mt -81.47 3.27 25.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.581 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 62.24 49.58 4.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.551 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.3 t -105.16 138.59 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.8 t -56.15 140.38 44.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.696 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.616 ' HA ' HD12 ' A' ' 105' ' ' ILE . 68.1 tp60 -58.92 -35.97 73.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.114 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -54.82 -42.7 72.22 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.678 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.5 -36.55 83.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.311 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.659 HG21 HG13 ' A' ' 92' ' ' VAL . 79.6 mt -60.89 -40.51 85.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.608 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -58.15 -39.27 78.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -60.58 -39.23 87.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.1 t -66.68 -39.48 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.619 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.8 t -60.58 -40.79 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.74 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.4 m -59.81 -39.53 85.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.954 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.731 HG21 ' O ' ' A' ' 54' ' ' ALA . 87.7 mt -57.34 -50.4 76.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.915 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 114' ' ' SER . 29.4 m -77.14 -28.15 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 0.0 110.554 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.4 69.91 0.04 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 112' ' ' VAL . 48.7 m -117.45 139.09 51.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.851 0.358 . . . . 0.0 110.453 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.476 HG12 HD21 ' A' ' 119' ' ' ASN . 77.2 t -69.45 -41.49 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.183 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.81 -44.65 90.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.246 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -65.43 -46.17 80.99 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.49 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.588 ' NH2' ' OD2' ' A' ' 81' ' ' ASP . 79.6 ttt-85 -59.09 -41.85 89.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.663 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.476 HD21 HG12 ' A' ' 115' ' ' VAL . 85.3 m-20 -60.49 -38.43 84.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -60.86 -36.75 79.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.594 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.41 HG21 ' CD1' ' A' ' 84' ' ' PHE . 94.3 t -60.53 -42.87 93.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.75 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.727 HD11 ' OD1' ' A' ' 81' ' ' ASP . 79.0 mt -90.51 -0.36 57.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.72 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 58.5 43.28 19.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.494 179.766 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 125' ' ' HEB . . . . . 0.618 HMB1 HBB2 ' A' ' 125' ' ' HEB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -114.96 138.14 51.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.325 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.1 tp -52.9 -38.12 61.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.545 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.603 ' CE2' ' HB2' ' A' ' 11' ' ' ALA . 89.8 m-85 -60.94 -41.11 95.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -70.47 -39.25 74.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -58.93 -47.78 83.85 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.882 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.436 HD12 HG22 ' A' ' 14' ' ' VAL . 58.0 mt -99.93 -9.22 23.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.884 0.373 . . . . 0.0 110.58 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 5' ' ' TYR . . . 75.64 4.83 76.87 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.689 -0.965 . . . . 0.0 110.689 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.65 130.25 1.25 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.603 ' HB2' ' CE2' ' A' ' 5' ' ' TYR . . . -64.57 -25.34 67.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.709 0.29 . . . . 0.0 110.653 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.495 ' O ' ' OD2' ' A' ' 15' ' ' ASP . . . -58.83 -32.92 69.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.414 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.24 -25.55 67.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.752 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.523 ' O ' HG23 ' A' ' 18' ' ' VAL . 62.6 t -59.86 -41.72 86.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.495 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -60.25 -38.71 84.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.436 -179.439 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.3 tp -62.54 -42.84 99.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.323 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.84 -40.22 72.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.651 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 14' ' ' VAL . 69.6 t -63.41 -38.67 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.768 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -56.64 -49.0 76.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.641 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -63.58 -40.13 96.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.567 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -58.72 -40.97 85.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.568 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -56.73 -41.08 76.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.668 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.27 -43.07 93.75 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.486 ' NZ ' ' OE2' ' A' ' 97' ' ' GLU . 3.9 mptp? -62.37 -37.47 85.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.711 0.291 . . . . 0.0 110.522 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.81 -40.66 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.679 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.603 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -62.7 -38.78 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.314 -179.77 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.02 94.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.362 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.479 ' O ' HG22 ' A' ' 31' ' ' VAL . 53.2 t0 -87.77 97.37 10.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.632 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -74.31 -24.9 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.785 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -52.53 -39.79 61.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.788 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 28' ' ' ASP . 16.3 m -78.78 -31.16 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 110.62 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -56.71 -30.13 63.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.666 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.676 ' O ' HG13 ' A' ' 36' ' ' VAL . 92.2 mtt180 -53.31 -36.74 61.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.573 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -77.8 -18.35 56.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -97.74 13.08 31.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.037 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 33' ' ' ARG . 30.3 m -63.91 -35.72 74.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.721 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -89.08 4.63 47.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.741 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.0 m -124.81 141.83 51.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.598 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 54.5 p30 -81.57 163.18 22.8 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.519 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.4 mtt -62.0 -34.94 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.85 -58.85 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.677 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -62.8 -33.87 76.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.444 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.593 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 59.8 tt0 -55.44 -40.19 71.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.535 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -59.03 -36.19 74.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.724 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -59.09 -40.53 85.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -60.57 -45.66 93.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.597 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.593 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 1.7 mp0 -61.19 -37.11 81.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.001 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -60.82 -53.03 62.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.363 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -66.26 -39.24 89.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.532 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -59.6 -47.78 84.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.671 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.7 tpt -62.45 -40.82 97.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.663 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.494 HG22 ' HA3' ' A' ' 57' ' ' GLY . 31.0 m -62.64 -42.05 99.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.641 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -61.02 -36.22 78.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.572 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.93 -30.9 64.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.551 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -90.64 5.91 46.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.667 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.36 37.27 21.47 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.494 ' HA3' HG22 ' A' ' 52' ' ' THR . . . -70.17 47.22 0.65 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.8 p -64.05 -6.47 6.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.712 0.291 . . . . 0.0 110.518 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -52.81 -36.87 59.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.504 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 61' ' ' PHE . 39.9 ttt85 -95.21 -132.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.245 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 60' ' ' ARG . 12.9 m-85 35.13 72.2 0.75 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 0.0 110.713 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -52.91 -26.93 33.19 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.78 2.32 . . . . 0.0 112.18 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . 148.01 -72.22 0.31 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 63' ' ' GLY . 23.5 mmt180 36.89 -153.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.767 0.318 . . . . 0.0 110.457 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 p -129.01 86.99 2.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.765 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 32.3 mmt -59.73 -36.39 76.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.614 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' GLN . 98.5 mtt180 -59.75 -40.37 87.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.764 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.65 84.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.53 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.61 -33.66 76.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.46 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -98.11 -14.3 20.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.748 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.509 ' O ' ' OE1' ' A' ' 75' ' ' GLU . 63.5 tt0 -58.63 -40.04 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.825 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -56.21 -39.54 72.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.642 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.796 HD11 HMD2 ' A' ' 125' ' ' HEB . 87.7 mt -63.18 -36.38 83.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.18 -49.48 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.891 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' A' ' 71' ' ' GLN . 15.9 mp0 -68.77 -36.75 78.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.915 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -78.82 -61.16 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.635 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.501 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -111.69 161.88 15.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.758 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.45 115.08 4.54 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.41 HD21 HG12 ' A' ' 121' ' ' VAL . 37.6 tp -98.57 131.59 44.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.603 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.585 ' OG1' ' CE1' ' A' ' 83' ' ' HIS . 33.3 p -122.85 161.52 23.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.735 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -59.35 -37.3 77.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.979 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 2.3 p -55.95 -36.83 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.585 ' CE1' ' OG1' ' A' ' 80' ' ' THR . 38.7 m80 -57.29 -44.61 84.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.838 0.351 . . . . 0.0 110.716 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -61.47 -47.27 86.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.404 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -63.9 -33.48 75.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.1 -62.87 1.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -61.94 -30.87 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.46 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.74 90.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.03 -37.8 86.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -58.72 -37.63 76.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.661 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.5 tp -60.6 -39.94 89.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.509 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.74 -43.27 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.695 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.73 -36.21 82.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.703 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.5 m -58.77 -42.01 87.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.559 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.507 HD12 HG23 ' A' ' 105' ' ' ILE . 77.3 mt -63.85 -35.6 81.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.615 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.444 ' OE1' ' CD1' ' A' ' 105' ' ' ILE . 29.2 mm100 -59.64 -37.99 80.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.583 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.486 ' OE2' ' NZ ' ' A' ' 24' ' ' LYS . 96.9 mt-10 -64.78 -32.8 74.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.597 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 81.9 mt -77.29 -3.9 42.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.621 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 61.54 49.98 4.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.561 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.4 t -99.4 139.6 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.5 t -55.18 139.93 40.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.658 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.475 ' HA ' HD12 ' A' ' 105' ' ' ILE . 63.1 tp60 -58.89 -35.35 72.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.41 -43.83 75.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.631 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.26 -37.67 80.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.355 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.507 HG23 HD12 ' A' ' 95' ' ' LEU . 84.3 mt -61.75 -38.92 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.621 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -58.31 -39.93 80.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.428 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.74 -38.28 87.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.511 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.6 t -64.1 -39.69 86.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.598 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 113' ' ' GLY . 79.0 t -60.54 -41.05 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.483 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.7 m -61.07 -43.34 99.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.63 -52.28 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.845 0.355 . . . . 0.0 111.025 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.52 ' C ' ' H ' ' A' ' 114' ' ' SER . 20.1 m -77.57 -22.34 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.423 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -63.46 5.54 0.7 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.52 ' H ' ' C ' ' A' ' 112' ' ' VAL . 50.9 m -57.28 126.07 25.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 110.465 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 71.3 t -69.14 -38.73 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.791 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -56.12 -44.49 79.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.708 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -66.06 -43.47 87.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -57.41 -43.52 83.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.535 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -64.01 -37.58 87.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.711 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.5 m-20 -59.4 -39.14 82.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.41 HG12 HD21 ' A' ' 79' ' ' LEU . 71.9 t -62.8 -42.26 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.605 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.463 HD13 HH21 ' A' ' 124' ' ' ARG . 22.1 mt -86.61 -7.66 58.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.579 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 56.7 m-20 59.92 45.16 12.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.699 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.463 HH21 HD13 ' A' ' 122' ' ' LEU . 80.1 mtm180 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.923 -1.036 . . . . 0.0 110.574 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' HEB . . . . . 0.796 HMD2 HD11 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -119.94 145.55 46.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.634 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.544 HD22 HG23 ' A' ' 52' ' ' THR . 42.8 tp -60.01 -36.91 78.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.674 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -61.35 -37.11 82.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.3 -35.62 77.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.998 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 tptm -59.72 -51.03 71.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.775 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.7 -36.41 73.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 110.721 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.08 5.31 67.99 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.24 111.39 0.47 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.19 -33.2 75.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.685 0.279 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.94 -33.8 74.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.779 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.57 -31.11 72.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.49 ' O ' HG23 ' A' ' 18' ' ' VAL . 78.5 t -60.56 -41.88 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.046 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -57.21 -41.41 79.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.849 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.453 ' O ' ' CD ' ' A' ' 20' ' ' LYS . 75.4 mt -65.6 -40.01 92.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.58 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.29 -38.36 81.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.633 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 14' ' ' VAL . 73.8 t -64.32 -37.91 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.951 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 19' ' ' GLU . 3.4 tm-20 -55.84 -41.18 73.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.831 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.453 ' CD ' ' O ' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -63.04 -44.89 94.65 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.35 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -68.38 -46.51 69.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.457 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -59.81 -43.12 94.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.726 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.26 -42.09 97.12 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -61.3 -42.06 98.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.367 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.28 -40.81 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.537 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 tp -58.75 -36.57 74.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.389 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.8 88.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.419 ' O ' HG22 ' A' ' 31' ' ' VAL . 59.8 t0 -87.15 102.66 14.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.927 0.394 . . . . 0.0 110.659 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -73.13 -25.5 60.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -53.98 -41.63 68.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.701 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 28' ' ' ASP . 16.4 m -79.67 -29.12 13.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.837 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -57.77 -31.1 66.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -54.22 -40.09 67.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.876 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -69.52 -33.85 73.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.074 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.486 ' O ' ' O ' ' A' ' 38' ' ' THR . 90.6 m-85 -80.75 3.46 22.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.3 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.1 t -56.9 -43.92 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.286 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -60.07 -33.65 72.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.467 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.486 ' O ' ' O ' ' A' ' 35' ' ' PHE . 33.0 m -96.93 142.61 28.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.671 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 48.5 p30 -71.2 157.36 38.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.431 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.1 mtp -60.76 -35.02 75.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.242 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.25 -58.7 7.23 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.954 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.44 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -61.07 -34.63 75.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.385 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.586 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 59.5 tt0 -53.68 -39.14 64.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.975 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -57.64 -38.26 74.73 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.52 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.42 -39.17 89.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -59.87 -47.49 85.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.874 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 1.2 mp0 -60.68 -39.3 87.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.526 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -62.33 -47.15 85.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 110.327 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -64.91 -38.56 91.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.569 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.479 ' CE1' HBB3 ' A' ' 125' ' ' HEB . 63.7 t80 -58.26 -45.36 87.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.733 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.3 ttt -61.9 -40.42 95.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.611 HG22 ' HA3' ' A' ' 57' ' ' GLY . 46.7 m -59.35 -40.43 86.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.901 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.2 -38.22 82.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.705 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.89 -32.07 71.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.009 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -88.31 10.22 20.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.949 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.505 ' C ' ' H ' ' A' ' 58' ' ' THR . . . 83.98 37.21 11.71 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.611 ' HA3' HG22 ' A' ' 52' ' ' THR . . . -69.31 40.27 0.35 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.505 ' H ' ' C ' ' A' ' 56' ' ' GLY . 48.2 p -81.86 16.14 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 110.706 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -50.48 -37.49 38.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.801 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -147.46 62.27 1.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.936 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.577 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 44.2 m-85 -127.5 61.57 50.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.403 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -65.84 -19.28 58.78 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.654 2.236 . . . . 0.0 112.396 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.18 42.04 16.29 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.3 tpp85 -53.93 -38.97 65.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.593 0.235 . . . . 0.0 110.732 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.3 p -176.44 44.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.833 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 mmt -59.55 -34.71 73.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.597 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -57.46 -37.55 73.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.677 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.2 79.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.689 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.61 87.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.699 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -94.06 -16.12 24.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.739 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -58.05 -39.01 77.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.534 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -59.2 -38.94 81.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.694 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.811 HD11 HMD2 ' A' ' 125' ' ' HEB . 98.0 mt -60.14 -38.97 84.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.711 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.02 -42.73 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.804 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.64 -36.25 83.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.826 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -90.3 -60.89 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.018 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . -110.16 148.54 31.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.968 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.69 105.95 3.22 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.6 tp -102.61 134.03 46.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.558 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.5 ' OG1' HG12 ' A' ' 82' ' ' VAL . 71.4 p -120.42 163.38 17.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.78 ' OD1' HD21 ' A' ' 122' ' ' LEU . 96.6 m-20 -57.67 -36.62 72.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.982 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.5 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.9 p -52.99 -37.73 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.826 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.41 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 76.5 m80 -57.79 -41.83 82.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.481 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -58.71 -44.58 90.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.437 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -62.75 -35.73 80.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.823 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.73 -58.76 5.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.337 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.8 tt -62.39 -30.06 48.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.676 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.56 -39.76 94.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.441 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.6 -36.56 81.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.533 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -58.29 -38.26 76.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.91 -39.46 89.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.512 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.621 HG13 HG21 ' A' ' 105' ' ' ILE . 72.9 t -63.54 -42.96 97.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.688 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.1 mt -63.6 -36.35 83.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.773 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.6 m -58.91 -42.07 88.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.737 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.723 HD12 HG23 ' A' ' 105' ' ' ILE . 77.0 mt -62.89 -35.51 80.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.597 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.47 ' OE1' HD11 ' A' ' 105' ' ' ILE . 14.8 mm100 -59.7 -36.19 76.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.493 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.8 -31.23 72.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.54 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.422 ' HB2' HG23 ' A' ' 100' ' ' VAL . 56.9 mt -82.16 1.35 36.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.665 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 61.35 50.31 4.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.924 0.393 . . . . 0.0 110.543 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.422 HG23 ' HB2' ' A' ' 98' ' ' LEU . 46.5 t -103.01 138.86 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.449 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.2 t -55.07 140.67 37.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.752 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.558 ' HA ' HD12 ' A' ' 105' ' ' ILE . 13.8 tp60 -59.0 -36.75 75.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.119 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -55.77 -43.11 76.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.825 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.83 -36.97 83.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.31 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.723 HG23 HD12 ' A' ' 95' ' ' LEU . 81.8 mt -60.7 -40.0 83.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.582 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.16 -39.78 79.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.549 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.93 -37.07 83.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.339 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.69 -39.42 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.631 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 113' ' ' GLY . 70.1 t -59.61 -41.52 85.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.708 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.6 m -60.48 -41.39 94.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.5 mt -59.37 -50.87 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.923 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.6 m -80.6 -22.55 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.646 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -79.57 78.28 1.78 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.5 m -120.53 141.04 50.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 110.372 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.505 HG12 ' OD1' ' A' ' 119' ' ' ASN . 69.4 t -67.39 -42.16 87.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.008 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -59.57 -44.41 93.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -64.8 -46.96 79.83 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.461 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.588 ' NH2' ' OD2' ' A' ' 81' ' ' ASP . 78.0 ttt-85 -60.48 -43.46 96.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.391 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.505 ' OD1' HG12 ' A' ' 115' ' ' VAL . 9.3 m120 -62.86 -36.07 82.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.75 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.488 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 91.4 m-20 -58.48 -38.9 78.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.4 t -61.72 -43.65 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.373 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.78 HD21 ' OD1' ' A' ' 81' ' ' ASP . 98.7 mt -65.27 -29.57 70.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.806 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.488 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 78.5 m-20 60.79 44.14 11.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.331 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.544 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 125' ' ' HEB . . . . . 0.811 HMD2 HD11 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.9 p -120.52 149.85 41.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.674 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.38 -34.62 75.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.673 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.47 ' CE1' ' N ' ' A' ' 11' ' ' ALA . 4.3 t80 -52.47 -41.81 63.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.491 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.422 ' CD ' ' C ' ' A' ' 6' ' ' GLU . 0.8 OUTLIER -68.35 -31.4 70.76 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.884 -179.62 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -65.15 -54.37 30.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.895 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.884 HD12 HG22 ' A' ' 14' ' ' VAL . 74.3 mt -71.67 -37.04 70.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.963 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.5 5.62 69.15 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.62 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -144.51 106.89 0.42 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.47 ' N ' ' CE1' ' A' ' 5' ' ' TYR . . . -65.59 -39.3 91.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 0.0 110.929 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.5 95.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.96 -30.79 71.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.77 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.884 HG22 HD12 ' A' ' 8' ' ' LEU . 80.7 t -60.95 -41.33 88.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.058 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -58.65 -41.6 86.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.125 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.591 ' CD2' ' N ' ' A' ' 16' ' ' LEU . 2.4 mm? -66.69 -37.88 85.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.82 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.94 -38.31 90.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.716 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.2 t -64.44 -39.8 86.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.771 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.73 -37.11 85.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.912 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -60.49 -42.13 95.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.51 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -65.53 -43.61 89.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.546 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -57.59 -41.47 81.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.752 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.0 -42.29 86.62 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -62.06 -39.87 93.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.404 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.27 -40.45 86.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.604 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.3 tp -57.83 -37.83 74.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.633 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.84 93.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.723 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.4 ' O ' HG22 ' A' ' 31' ' ' VAL . 60.2 t0 -90.43 101.8 14.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.964 0.411 . . . . 0.0 110.769 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.68 -27.4 61.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.102 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -54.65 -41.16 69.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.651 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 28' ' ' ASP . 27.2 m -78.05 -31.39 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.904 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.19 -33.2 69.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 36' ' ' VAL . 77.1 mtp85 -55.88 -39.62 71.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.088 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -69.0 -31.7 70.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.347 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.506 ' O ' ' O ' ' A' ' 38' ' ' THR . 89.0 m-85 -85.42 6.98 24.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.368 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 33' ' ' ARG . 53.8 t -57.47 -43.12 82.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.435 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -60.22 -33.58 72.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.506 ' O ' ' O ' ' A' ' 35' ' ' PHE . 49.0 m -99.75 141.89 31.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.858 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.442 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.3 p30 -76.87 167.48 21.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.561 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.2 mtt -61.32 -34.69 75.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.285 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.48 -58.98 6.15 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.044 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -62.58 -31.93 72.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.657 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.579 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 59.3 tt0 -55.41 -40.96 72.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.709 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -60.08 -38.48 83.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.653 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -59.65 -38.43 81.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.655 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -59.41 -45.59 91.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.795 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.579 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -61.33 -39.22 89.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.694 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -61.17 -49.08 78.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 110.117 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -68.14 -38.07 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.586 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.652 ' CE1' HBB3 ' A' ' 125' ' ' HEB . 66.9 t80 -60.4 -49.08 79.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.052 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 57.4 ttm -62.83 -40.3 97.01 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.701 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.6 m -60.7 -42.39 97.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -62.0 -41.88 98.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.527 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.6 72.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.702 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -75.77 10.11 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.681 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.71 26.21 17.97 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.3 47.84 0.69 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.548 ' C ' ' H ' ' A' ' 60' ' ' ARG . 72.7 p -87.06 25.92 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.564 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.426 ' C ' ' OD1' ' A' ' 59' ' ' ASP . 51.9 p30 -72.54 21.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.278 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.548 ' H ' ' C ' ' A' ' 58' ' ' THR . 60.0 mtp85 61.4 94.26 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.379 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -67.74 154.2 93.82 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.469 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -56.52 -22.2 41.78 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.639 2.226 . . . . 0.0 112.242 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.17 83.83 1.59 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.854 -0.899 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -57.81 -33.62 68.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.629 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 m -101.62 77.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.2 mmt -59.28 -37.2 77.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.413 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.536 ' NH1' ' O ' ' A' ' 124' ' ' ARG . 95.2 mtt180 -60.46 -38.24 83.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.963 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.0 77.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.858 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.42 -36.16 82.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.76 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -100.02 -11.87 20.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.11 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' ARG . 50.1 tt0 -58.03 -40.69 81.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 110.708 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.56 -38.6 85.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.665 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.485 HD11 HMD2 ' A' ' 125' ' ' HEB . 67.7 mt -60.72 -39.88 90.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.779 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.73 -41.58 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.23 -35.86 81.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -91.31 -61.38 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.944 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.31 148.55 31.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.867 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.36 108.78 3.46 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.8 tp -102.46 133.17 47.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 0.0 110.67 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.529 ' OG1' HG12 ' A' ' 82' ' ' VAL . 69.8 p -121.29 165.42 15.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.702 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.708 ' OD1' HD21 ' A' ' 122' ' ' LEU . 96.0 m-20 -56.89 -37.0 70.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.016 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.529 HG12 ' OG1' ' A' ' 80' ' ' THR . 3.5 p -52.76 -38.13 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.908 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.411 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 78.4 m80 -58.38 -41.08 84.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.451 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -58.46 -42.86 88.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.515 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.95 -36.75 77.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.76 -59.6 3.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.078 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.4 tt -62.49 -29.99 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.62 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.72 -39.13 93.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.487 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -61.53 -37.58 84.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.468 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.7 -37.56 76.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.558 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.6 tp -60.23 -40.39 90.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.436 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.6 t -63.87 -42.5 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.803 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 75.5 mt -62.24 -36.9 83.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.722 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.9 m -59.71 -41.88 91.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.564 HD12 HG23 ' A' ' 105' ' ' ILE . 56.7 mt -63.19 -35.18 79.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.613 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -59.16 -37.35 77.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.894 0.378 . . . . 0.0 110.48 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.35 -31.62 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.553 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.442 ' HB2' HG23 ' A' ' 100' ' ' VAL . 59.4 mt -81.6 -0.81 44.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.664 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 61.15 50.93 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.57 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.442 HG23 ' HB2' ' A' ' 98' ' ' LEU . 46.1 t -101.78 138.68 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.421 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.6 t -57.29 142.48 43.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.721 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.571 ' HA ' HD12 ' A' ' 105' ' ' ILE . 27.4 tp60 -59.59 -37.04 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.187 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -55.93 -42.93 76.87 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.951 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.31 -36.46 83.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.445 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 102' ' ' GLN . 83.0 mt -60.14 -40.42 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.61 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.16 -40.26 80.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.47 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.09 -36.03 83.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.371 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.34 -39.78 86.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.652 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.584 ' O ' ' N ' ' A' ' 113' ' ' GLY . 75.4 t -60.64 -40.45 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.81 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.5 m -58.91 -41.36 87.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 89.6 mt -58.7 -50.59 78.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.869 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.6 m -84.36 -19.43 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.648 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -76.57 12.57 10.14 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.4 m -59.06 143.7 47.69 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.37 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 69.1 t -67.18 -40.95 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -58.48 -43.47 88.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.19 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -63.29 -45.34 91.88 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.517 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -59.28 -43.16 92.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.408 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -61.95 -36.49 81.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.745 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.489 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.8 m-20 -59.51 -37.61 78.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.815 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.86 -43.9 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.346 . . . . 0.0 110.422 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.708 HD21 ' OD1' ' A' ' 81' ' ' ASP . 88.5 mt -73.35 -18.99 61.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.489 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 86.4 m-20 59.94 44.25 13.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.934 0.397 . . . . 0.0 110.576 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.536 ' O ' ' NH1' ' A' ' 67' ' ' ARG . 61.5 mtp85 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.555 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' HEB . . . . . 0.68 HMB1 HBB2 ' A' ' 125' ' ' HEB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.402 ' HB3' ' CD2' ' A' ' 5' ' ' TYR . 39.1 m -120.56 140.43 51.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.749 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.485 HD23 HG13 ' A' ' 14' ' ' VAL . 37.0 tp -69.01 -38.23 79.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.582 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.402 ' CD2' ' HB3' ' A' ' 3' ' ' SER . 17.2 p90 -67.62 -19.72 65.26 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.322 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -56.26 -40.33 74.04 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.264 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -73.47 -52.46 13.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.035 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.41 HD12 HG22 ' A' ' 14' ' ' VAL . 74.5 mt -63.91 -36.73 84.9 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.49 12.82 66.49 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.91 111.07 0.53 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.66 -36.58 82.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.38 90.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.05 -38.54 91.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.837 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.485 HG13 HD23 ' A' ' 4' ' ' LEU . 73.8 t -63.74 -44.41 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.74 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -60.52 -40.99 93.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.8 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.79 -41.52 99.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.594 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.7 -43.62 75.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.722 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.17 -41.86 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.02 -47.23 85.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.891 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -64.14 -42.8 96.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.331 . . . . 0.0 110.621 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -63.85 -44.41 93.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.43 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -58.86 -43.01 90.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.896 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.46 -44.13 95.5 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -62.19 -40.86 97.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.832 0.348 . . . . 0.0 110.411 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.0 t -63.2 -41.37 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.731 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.8 tp -58.29 -37.27 74.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.5 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.22 -35.37 78.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -83.59 99.88 10.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.951 0.405 . . . . 0.0 110.755 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.21 -27.25 61.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.052 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 -54.99 -41.5 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.567 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.7 m -78.88 -30.46 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -57.7 -32.06 67.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.572 ' O ' HG23 ' A' ' 36' ' ' VAL . 74.9 mtp85 -54.4 -39.67 67.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.192 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -67.64 -31.42 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.291 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -84.19 7.32 19.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.199 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 33' ' ' ARG . 53.2 t -58.52 -39.73 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.483 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -84.57 4.7 30.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.6 m -120.92 141.75 50.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.379 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 23.2 p-10 -77.06 163.19 26.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.019 0.437 . . . . 0.0 111.015 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 98.7 mmm -61.46 -34.9 76.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.319 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.32 -56.64 14.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.464 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.434 ' CG ' ' OD1' ' A' ' 39' ' ' ASP . 62.1 mmtt -61.43 -34.56 75.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.982 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.592 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 59.1 tt0 -55.39 -44.08 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.791 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -61.69 -37.07 82.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.625 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.61 -40.25 91.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -59.69 -44.62 93.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.619 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.592 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -60.56 -36.7 79.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.73 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -59.57 -48.61 80.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.185 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -66.93 -39.64 87.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.45 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.598 ' CD1' HBB3 ' A' ' 125' ' ' HEB . 66.2 t80 -60.01 -46.05 90.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.889 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.7 tpt -61.63 -39.74 92.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.622 HG22 ' HA3' ' A' ' 57' ' ' GLY . 46.7 m -60.21 -40.11 88.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.781 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -59.85 -37.8 80.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.713 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.75 ' O ' HG21 ' A' ' 111' ' ' ILE . . . -60.02 -31.1 69.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -92.39 13.32 19.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.554 ' C ' ' H ' ' A' ' 58' ' ' THR . . . 84.55 37.03 11.08 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.622 ' HA3' HG22 ' A' ' 52' ' ' THR . . . -68.38 15.85 0.56 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.554 ' H ' ' C ' ' A' ' 56' ' ' GLY . 46.2 p -63.89 -1.13 1.29 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.762 0.315 . . . . 0.0 110.695 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 57' ' ' GLY . 22.1 t70 -50.26 -37.5 36.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.002 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -128.88 68.9 1.39 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.829 0.347 . . . . 0.0 110.813 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -140.21 60.72 15.3 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.774 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -63.48 -19.4 67.78 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.569 2.179 . . . . 0.0 112.254 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.65 40.19 19.04 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.448 ' C ' ' OG ' ' A' ' 65' ' ' SER . 40.0 ttm180 -54.1 -39.87 66.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.677 0.275 . . . . 0.0 110.725 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.448 ' OG ' ' C ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -173.16 36.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.718 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.4 mmt -58.19 -37.9 75.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.547 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.3 -37.05 81.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.485 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.55 -34.9 79.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.5 -37.91 87.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.842 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -93.61 -15.84 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.755 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -58.67 -39.01 79.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.752 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -58.47 -39.85 81.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.749 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.945 HD11 HMD2 ' A' ' 125' ' ' HEB . 73.9 mt -62.67 -38.6 90.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.737 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.3 -42.28 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.68 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -64.17 -36.11 82.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -89.28 -61.37 1.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.484 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.28 148.99 30.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.27 101.98 2.66 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.569 -1.013 . . . . 0.0 110.569 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.6 tp -103.19 133.07 48.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 110.44 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.577 ' OG1' HG12 ' A' ' 82' ' ' VAL . 28.0 p -122.09 167.7 12.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.666 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.783 ' OD1' HD21 ' A' ' 122' ' ' LEU . 95.7 m-20 -53.63 -34.34 58.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.544 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.577 HG12 ' OG1' ' A' ' 80' ' ' THR . 3.7 p -49.07 -38.25 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.677 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.422 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 77.5 m80 -58.24 -43.92 88.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.883 0.373 . . . . 0.0 110.291 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -60.2 -44.43 95.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.386 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.49 -36.85 79.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.782 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.18 -59.46 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -62.97 -32.56 56.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.569 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.95 -41.7 86.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.433 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.06 -36.67 82.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.454 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -57.44 -38.5 74.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.518 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.27 -40.03 92.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.22 -44.11 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.746 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.8 mt -63.41 -34.91 78.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.721 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.8 m -57.42 -41.59 80.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.681 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.668 HD12 HG23 ' A' ' 105' ' ' ILE . 69.5 mt -62.93 -36.63 84.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.559 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.45 -36.92 79.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.446 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.98 -32.48 73.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.287 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.485 ' HB2' HG23 ' A' ' 100' ' ' VAL . 84.4 mt -79.48 -2.57 42.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.532 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.2 t30 61.04 49.68 5.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.163 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.485 HG23 ' HB2' ' A' ' 98' ' ' LEU . 47.3 t -100.63 139.7 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.457 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.8 t -52.11 139.62 22.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.608 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.491 ' HA ' HD12 ' A' ' 105' ' ' ILE . 67.8 tp60 -59.08 -35.97 74.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.092 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -54.94 -42.73 72.66 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.763 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.82 -37.52 84.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 110.243 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.668 HG23 HD12 ' A' ' 95' ' ' LEU . 79.7 mt -62.19 -38.61 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.615 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -57.97 -39.87 79.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.571 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.67 -37.84 85.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.28 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.12 -39.13 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.547 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.09 -40.76 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.83 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 48.5 m -59.95 -41.33 91.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.052 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.75 HG21 ' O ' ' A' ' 54' ' ' ALA . 93.1 mt -57.44 -49.31 80.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.779 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.3 m -80.83 -17.75 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.992 0.425 . . . . 0.0 110.397 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 114' ' ' SER . . . -54.33 -25.47 33.62 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' GLY . 72.2 m -38.62 112.72 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.922 0.391 . . . . 0.0 110.634 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.89 -35.8 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.049 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -50.75 -41.79 56.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -62.49 -43.49 98.68 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.211 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.63 HH21 ' CB ' ' A' ' 81' ' ' ASP . 74.2 ttt180 -59.0 -40.49 85.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.496 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -59.3 -36.73 76.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.836 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.495 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.8 m-20 -59.34 -38.74 81.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.689 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.42 -44.03 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 0.0 110.457 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.783 HD21 ' OD1' ' A' ' 81' ' ' ASP . 95.8 mt -66.22 -30.81 71.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.882 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.495 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 81.4 m-20 60.22 44.36 12.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.622 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.528 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 125' ' ' HEB . . . . . 0.945 HMD2 HD11 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 t -120.88 143.82 48.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.651 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.8 tp -56.28 -37.86 70.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.468 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 10' ' ' GLY . 94.2 m-85 -61.87 -40.22 94.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.602 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.95 -38.05 89.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.748 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -59.89 -34.56 73.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.73 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.5 mt -87.41 6.36 34.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.828 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.19 16.71 36.98 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.642 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 98.48 169.36 31.53 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.04 -34.86 78.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.637 0.256 . . . . 0.0 110.974 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.29 -43.96 97.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.561 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.21 -31.65 71.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.563 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 10' ' ' GLY . 77.3 t -62.0 -38.84 81.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.907 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -55.71 -41.05 73.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.539 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.658 ' N ' HD12 ' A' ' 16' ' ' LEU . 7.1 mp -67.14 -40.85 86.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.605 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.5 -42.61 78.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.681 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.8 t -64.0 -39.95 87.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.19 -40.34 81.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.737 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -62.29 -44.45 96.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 110.666 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -68.05 -46.89 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -60.92 -41.8 96.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.811 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.1 -45.88 92.07 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -61.82 -39.24 91.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.385 . . . . 0.0 110.453 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.8 -41.03 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.464 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.5 tp -59.23 -36.35 75.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.377 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.86 -36.69 79.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -84.45 103.94 14.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.964 0.411 . . . . 0.0 110.777 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -72.84 -27.87 62.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -53.58 -41.77 66.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.505 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 31' ' ' VAL . 21.9 m -77.88 -31.5 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.608 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -57.19 -30.87 64.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.524 ' O ' HG23 ' A' ' 36' ' ' VAL . 72.1 mtp85 -53.73 -39.98 65.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.927 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -70.25 -29.74 66.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.199 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 38' ' ' THR . 96.2 m-85 -88.47 9.3 24.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.304 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 33' ' ' ARG . 55.2 t -56.77 -39.65 65.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.513 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -84.41 3.94 33.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.488 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' PHE . 53.8 m -123.73 139.74 53.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 53.2 p30 -78.79 165.79 23.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 110.578 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.4 mtt -61.05 -35.81 77.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.403 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.1 -55.86 27.6 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.033 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -62.16 -35.5 78.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.608 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 60.4 tt0 -57.11 -44.98 83.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.841 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -60.86 -35.66 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.341 . . . . 0.0 110.729 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -59.5 -41.31 89.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.796 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.507 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 48.1 t-80 -61.34 -44.44 97.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.9 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.608 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.5 OUTLIER -59.66 -38.24 80.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.696 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -60.48 -46.94 88.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.953 0.406 . . . . 0.0 110.092 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -66.41 -40.23 89.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.385 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.479 ' CE1' HBB3 ' A' ' 125' ' ' HEB . 62.1 t80 -61.09 -46.04 92.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.562 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.8 ttt -60.77 -40.65 93.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.778 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.72 HG22 ' HA3' ' A' ' 57' ' ' GLY . 41.2 m -62.01 -39.65 92.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -60.37 -38.02 82.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.07 -31.25 68.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.921 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -89.69 11.32 20.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.729 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.467 ' C ' ' H ' ' A' ' 58' ' ' THR . . . 87.92 24.51 34.9 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.72 ' HA3' HG22 ' A' ' 52' ' ' THR . . . -68.87 40.24 0.31 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.467 ' H ' ' C ' ' A' ' 56' ' ' GLY . 48.0 p -62.64 -23.99 67.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.986 0.422 . . . . 0.0 110.077 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -68.22 164.61 20.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.501 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.24 -4.43 1.81 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -128.24 61.99 56.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.226 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -71.55 146.28 49.17 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.898 2.399 . . . . 0.0 112.476 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.89 -169.51 48.59 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.543 ' C ' ' H ' ' A' ' 66' ' ' MET . 4.8 ptp85 -120.23 -105.85 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.448 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.9 t 51.68 6.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.557 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.543 ' H ' ' C ' ' A' ' 64' ' ' ARG . 23.3 mmt -59.53 -35.02 73.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.377 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 71' ' ' GLN . 77.6 mtt85 -57.79 -36.99 72.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.9 85.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.68 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.78 85.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.609 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -93.33 -14.73 26.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' ARG . 41.5 tt0 -57.8 -37.83 74.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -55.8 -40.13 72.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.496 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.705 HD11 HMD2 ' A' ' 125' ' ' HEB . 93.1 mt -63.46 -38.36 90.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.406 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.411 HG21 HD22 ' A' ' 123' ' ' ASN . 73.1 t -64.25 -40.29 88.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.957 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -62.48 -36.11 81.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.963 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -92.77 -61.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.981 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.44 146.06 36.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.822 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -83.91 113.93 3.81 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 79' ' ' LEU . 41.4 tp -103.68 131.27 51.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.752 0.31 . . . . 0.0 110.675 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.5 ' OG1' HG12 ' A' ' 82' ' ' VAL . 51.0 p -121.39 166.5 14.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.722 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.747 ' OD1' HD21 ' A' ' 122' ' ' LEU . 95.2 m-20 -56.77 -36.62 70.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.877 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.5 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.6 p -51.62 -40.14 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.543 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.461 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 77.3 m80 -59.14 -41.33 88.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.959 0.409 . . . . 0.0 110.264 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.05 -44.58 87.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.542 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -63.28 -33.99 76.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.941 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.0 -61.3 2.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.42 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.2 tt -62.82 -31.5 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.551 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.38 -41.8 84.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.553 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.65 -36.94 82.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.535 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.42 -37.77 76.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.622 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.2 tp -61.28 -39.36 90.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.441 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.507 HG13 HG21 ' A' ' 105' ' ' ILE . 71.3 t -62.94 -43.61 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.8 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.49 -36.63 84.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.732 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.2 m -59.11 -41.95 89.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.852 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.76 HD12 HG23 ' A' ' 105' ' ' ILE . 77.8 mt -63.03 -36.02 82.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -59.99 -36.73 77.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.495 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.59 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.499 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.417 ' HB2' HG23 ' A' ' 100' ' ' VAL . 57.2 mt -81.03 0.87 33.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.7 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 47.6 t30 61.92 49.93 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.562 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 98' ' ' LEU . 47.2 t -103.14 138.37 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.0 t -54.31 140.78 32.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.588 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.491 ' HA ' HD12 ' A' ' 105' ' ' ILE . 58.8 tp60 -58.46 -36.87 74.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.1 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -55.84 -42.75 76.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.815 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.21 -37.53 83.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.398 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.76 HG23 HD12 ' A' ' 95' ' ' LEU . 80.4 mt -61.73 -39.8 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.646 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -58.31 -38.75 77.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.801 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.16 -36.99 85.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.578 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.78 -41.24 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.507 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 113' ' ' GLY . 75.9 t -62.23 -40.42 87.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.678 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.5 m -58.21 -40.44 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.5 mt -57.03 -50.78 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.612 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.08 -21.97 8.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.481 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -73.28 64.59 1.68 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.0 m -116.37 140.72 49.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.837 0.351 . . . . 0.0 110.405 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.535 HG12 ' OD1' ' A' ' 119' ' ' ASN . 69.5 t -66.87 -41.23 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.056 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.64 -43.89 89.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.144 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -63.8 -47.39 81.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.375 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.589 ' HE ' ' CG ' ' A' ' 81' ' ' ASP . 73.9 ttt180 -61.25 -42.09 98.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.603 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.535 ' OD1' HG12 ' A' ' 115' ' ' VAL . 9.0 m120 -60.52 -36.1 77.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.496 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 91.1 m-20 -59.13 -39.02 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.68 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.9 t -63.29 -44.07 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.482 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.747 HD21 ' OD1' ' A' ' 81' ' ' ASP . 89.7 mt -65.41 -31.67 72.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.496 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 83.3 m-20 59.28 43.56 16.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.173 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.531 -179.943 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 125' ' ' HEB . . . . . 0.756 HMB1 HBB2 ' A' ' 125' ' ' HEB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -120.05 147.8 44.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.619 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.628 HD13 ' CG ' ' A' ' 55' ' ' PHE . 44.5 tp -57.95 -36.08 72.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.636 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -59.14 -40.41 85.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.811 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.44 -37.75 85.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.035 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -64.26 -54.38 34.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.92 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.601 HD12 HG22 ' A' ' 14' ' ' VAL . 74.0 mt -71.65 -37.82 70.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.742 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.23 8.74 74.44 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.36 124.05 1.2 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.92 -35.33 80.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.719 0.295 . . . . 0.0 110.798 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.06 -33.61 74.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.497 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.76 -29.68 70.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.757 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.601 HG22 HD12 ' A' ' 8' ' ' LEU . 94.3 t -59.61 -44.99 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.765 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.06 -41.07 97.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.797 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.33 -40.83 98.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.69 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.8 79.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.684 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 14' ' ' VAL . 73.1 t -64.09 -39.92 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.45 -38.75 78.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.852 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -61.14 -42.85 99.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.852 0.358 . . . . 0.0 110.479 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -65.63 -43.91 88.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.67 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -58.09 -41.37 83.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.83 -45.84 90.93 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -62.82 -37.35 86.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.523 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.9 t -62.53 -42.61 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.536 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.6 tp -59.98 -37.52 79.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.501 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.81 84.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -85.21 103.11 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 110.76 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.17 -27.04 61.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 -53.97 -41.92 68.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.456 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.4 m -79.97 -29.92 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.78 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -57.69 -31.0 65.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.022 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.695 ' O ' HG13 ' A' ' 36' ' ' VAL . 84.6 mtm180 -54.18 -39.27 66.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.898 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -70.5 -29.6 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.321 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -88.02 10.48 18.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.586 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 33' ' ' ARG . 32.9 m -63.01 -34.1 64.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.497 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -86.61 4.15 41.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.4 m -124.49 140.95 52.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.477 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 42' ' ' LYS . 48.2 p30 -75.21 160.43 30.4 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.465 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mtp -61.44 -36.3 79.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.55 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.85 -57.06 12.15 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.086 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.464 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 78.9 tttt -60.81 -34.36 74.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.915 0.388 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.589 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 60.1 tt0 -54.77 -41.24 70.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.894 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -59.24 -36.43 75.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.94 0.4 . . . . 0.0 110.604 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -59.42 -40.31 86.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.764 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -60.73 -46.39 90.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -61.29 -37.54 83.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.686 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -60.07 -48.62 80.94 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.289 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -66.74 -39.1 87.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.413 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD1' HBB3 ' A' ' 125' ' ' HEB . 63.6 t80 -60.92 -48.47 81.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.831 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.504 ' SD ' HG22 ' A' ' 18' ' ' VAL . 23.2 ttt -63.11 -40.46 97.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.786 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.642 HG22 ' HA3' ' A' ' 57' ' ' GLY . 40.5 m -61.92 -39.67 92.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.641 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -59.46 -36.55 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.807 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.65 ' O ' HG21 ' A' ' 111' ' ' ILE . . . -56.93 -29.89 63.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.717 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.628 ' CG ' HD13 ' A' ' 4' ' ' LEU . 94.7 m-85 -91.68 7.25 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.761 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.602 ' O ' ' N ' ' A' ' 58' ' ' THR . . . 89.95 18.84 49.45 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.642 ' HA3' HG22 ' A' ' 52' ' ' THR . . . -56.88 73.15 0.01 OUTLIER Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.602 ' N ' ' O ' ' A' ' 56' ' ' GLY . 60.6 p -106.23 18.08 22.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.765 0.317 . . . . 0.0 110.513 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.88 -38.79 67.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.033 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.0 mtm-85 -146.82 83.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.498 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 12.9 m-85 -134.98 79.26 51.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.687 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -53.06 140.05 60.67 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.709 2.272 . . . . 0.0 112.116 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -89.27 -174.52 46.32 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER 34.83 77.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.685 0.278 . . . . 0.0 110.797 179.832 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 p 168.09 -35.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.656 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.6 mmt -59.38 -37.01 76.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.807 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.568 ' NH2' ' OD1' ' A' ' 120' ' ' ASP . 78.8 mtt85 -59.59 -38.95 82.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.701 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.68 83.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.689 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.56 83.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.715 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -95.43 -17.1 21.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' ARG . 1.7 tt0 -58.75 -38.92 79.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.788 0.328 . . . . 0.0 110.637 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.57 -38.95 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.613 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.722 HD11 HMD2 ' A' ' 125' ' ' HEB . 76.1 mt -60.47 -40.61 91.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.69 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.74 -42.63 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.83 -35.73 82.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -89.75 -60.96 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.944 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.48 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -108.16 146.32 32.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.773 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.0 120.81 5.31 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.6 tp -104.31 132.44 50.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.589 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.436 ' OG1' ' ND1' ' A' ' 83' ' ' HIS . 62.3 p -120.0 162.09 19.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.609 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -58.81 -38.72 79.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.831 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.415 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.9 p -57.26 -37.69 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.98 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.436 ' ND1' ' OG1' ' A' ' 80' ' ' THR . 38.8 m80 -58.2 -44.95 88.37 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.638 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -61.14 -45.56 94.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.994 0.426 . . . . 0.0 110.275 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -64.52 -34.05 77.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.98 -60.18 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.452 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.0 tt -62.91 -26.51 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.645 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.69 -40.7 95.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.69 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.14 -36.01 82.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.638 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -56.86 -38.65 73.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.413 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.6 tp -62.51 -39.64 94.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.429 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.99 -43.28 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.755 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.31 -36.19 81.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.755 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.7 m -58.05 -42.31 85.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.603 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.67 HD12 HG23 ' A' ' 105' ' ' ILE . 73.7 mt -64.74 -35.24 80.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.654 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.456 ' OE1' ' CD1' ' A' ' 105' ' ' ILE . 28.6 mm100 -59.66 -37.89 79.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.494 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.31 -31.77 73.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.513 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.463 ' HB2' HG23 ' A' ' 100' ' ' VAL . 57.5 mt -80.26 -2.03 43.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.63 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 60.56 50.25 5.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.52 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.463 HG23 ' HB2' ' A' ' 98' ' ' LEU . 47.0 t -101.57 139.28 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.472 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.5 t -54.03 140.51 31.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.643 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.544 ' HA ' HD12 ' A' ' 105' ' ' ILE . 22.9 tp60 -59.21 -36.33 75.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.091 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -55.28 -42.8 74.05 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.862 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.05 -37.14 83.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.356 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.67 HG23 HD12 ' A' ' 95' ' ' LEU . 84.0 mt -61.14 -39.93 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.708 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.27 -39.85 80.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.509 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.44 -37.4 85.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.559 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.14 -39.38 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.669 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.579 ' O ' ' N ' ' A' ' 113' ' ' GLY . 73.8 t -59.68 -40.85 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.685 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.6 m -59.04 -41.19 87.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.65 HG21 ' O ' ' A' ' 54' ' ' ALA . 83.4 mt -59.25 -51.44 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.811 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.7 m -82.93 -19.69 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.557 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -74.06 13.35 4.52 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.0 m -58.33 135.14 57.11 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.364 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 73.3 t -69.48 -40.93 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -57.56 -43.89 84.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.147 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -63.8 -45.6 88.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.486 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -58.7 -42.79 89.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.43 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 123' ' ' ASN . 86.7 m-20 -61.25 -39.7 91.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.515 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.568 ' OD1' ' NH2' ' A' ' 67' ' ' ARG . 89.5 m-20 -63.81 -43.33 96.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.769 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.99 -44.75 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.656 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 67.5 mt -81.67 -12.55 58.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.612 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.496 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 84.0 m-20 58.09 43.47 20.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.232 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 123' ' ' ASN . 82.1 mtm180 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.623 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' HEB . . . . . 0.722 HMD2 HD11 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p -124.64 156.03 38.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.545 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.626 HD21 HG11 ' A' ' 14' ' ' VAL . 43.3 tp -55.49 -40.93 72.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.388 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 9' ' ' GLY . 63.8 t80 -61.59 -43.58 98.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.698 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -65.45 -33.91 77.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.31 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -57.89 -54.47 46.52 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.879 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.008 HD12 HG22 ' A' ' 14' ' ' VAL . 62.1 mt -92.27 -34.12 14.37 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.605 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 5' ' ' TYR . . . 90.25 8.26 66.65 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.703 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -150.34 109.47 0.43 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.527 ' HB2' ' HD2' ' A' ' 5' ' ' TYR . . . -65.47 -37.78 87.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.791 0.329 . . . . 0.0 110.775 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.94 -42.68 97.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.803 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.35 -34.58 78.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.402 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.008 HG22 HD12 ' A' ' 8' ' ' LEU . 97.2 t -61.84 -40.85 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.563 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.27 -39.97 80.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.196 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.45 -43.19 83.75 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.775 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.62 -36.87 83.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.91 0.386 . . . . 0.0 110.552 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.53 -41.37 92.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.15 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.12 -38.84 90.48 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.985 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -61.61 -41.65 97.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.891 0.377 . . . . 0.0 110.389 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.404 ' O ' HG23 ' A' ' 25' ' ' VAL . 74.6 t80 -65.36 -43.79 89.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.798 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -58.11 -43.15 86.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.43 -44.68 96.47 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -62.11 -38.83 90.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.937 0.398 . . . . 0.0 110.514 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 21' ' ' PHE . 72.3 t -60.73 -40.26 84.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.698 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -59.48 -35.26 73.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.433 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.67 81.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.82 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -84.78 103.92 14.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.973 0.416 . . . . 0.0 110.757 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -72.79 -28.66 62.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.289 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -54.05 -42.03 68.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.47 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.5 m -80.07 -31.1 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.742 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -56.93 -31.57 65.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.988 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -54.76 -40.15 69.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.919 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -70.92 -29.32 65.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.204 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.486 ' O ' ' O ' ' A' ' 38' ' ' THR . 89.7 m-85 -88.1 5.47 40.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.51 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 51.3 t -57.95 -44.52 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.372 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -61.16 -34.48 75.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.486 ' O ' ' O ' ' A' ' 35' ' ' PHE . 58.9 m -94.91 141.7 28.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.774 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 50.2 p30 -72.86 162.44 29.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.555 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.3 mtt -61.04 -34.9 75.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.356 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.02 -57.03 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.971 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -62.11 -33.81 75.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.48 ' O ' ' OE1' ' A' ' 47' ' ' GLN . 59.5 tt0 -54.79 -39.88 68.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -59.45 -39.68 84.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.579 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -61.92 -40.7 96.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.739 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.454 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 54.8 t-80 -61.13 -45.41 94.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.614 ' OE1' ' N ' ' A' ' 47' ' ' GLN . 2.4 mp0 -61.02 -37.66 83.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.473 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -60.71 -47.8 84.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.374 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.24 -40.68 90.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.451 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.46 ' CD1' HBB3 ' A' ' 125' ' ' HEB . 66.6 t80 -61.32 -45.99 92.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.684 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.0 tpt -61.21 -39.6 90.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.733 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.3 m -61.77 -40.26 94.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.763 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -59.75 -36.48 76.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.688 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.79 -29.67 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.671 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -89.12 7.68 33.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.857 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.638 ' O ' HG23 ' A' ' 58' ' ' THR . . . 94.67 19.19 32.69 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.451 ' O ' ' CE1' ' A' ' 61' ' ' PHE . . . -54.02 76.41 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 56' ' ' GLY . 53.0 p -107.88 27.03 9.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.751 0.31 . . . . 0.0 110.527 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -52.69 -37.6 59.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.722 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.1 ttp180 -168.86 80.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.451 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 52.9 m-85 -129.95 75.76 79.08 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.491 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -55.09 -35.11 89.72 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.681 2.254 . . . . 0.0 112.085 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.82 6.76 82.24 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.8 mmm-85 -97.66 -68.78 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.732 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.3 m -58.67 -33.02 69.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.751 ' SD ' HMA2 ' A' ' 125' ' ' HEB . 23.8 mmt -56.83 -36.55 70.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.794 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -59.46 -37.48 78.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.676 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.42 84.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.481 ' HB1' HBD1 ' A' ' 125' ' ' HEB . . . -63.62 -37.52 87.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.657 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -88.87 -18.66 27.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.549 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -58.78 -37.27 75.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -56.95 -40.57 76.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.745 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.878 HD11 HMD2 ' A' ' 125' ' ' HEB . 75.0 mt -63.73 -37.29 86.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.565 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.54 -37.97 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.0 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -59.94 -37.82 80.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.966 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -111.89 -61.16 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.374 . . . . 0.0 110.92 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . -74.73 147.15 41.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -101.11 86.78 0.63 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.8 tp -100.27 130.55 46.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 110.517 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.497 ' OG1' HG12 ' A' ' 82' ' ' VAL . 39.9 p -124.08 169.3 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.543 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.777 ' OD1' HD21 ' A' ' 122' ' ' LEU . 95.5 m-20 -53.56 -36.33 61.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.657 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.497 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.4 p -53.43 -39.64 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.934 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.455 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 74.4 m80 -58.33 -41.69 85.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.497 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -57.66 -43.43 84.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.256 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.82 -35.22 79.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.798 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.75 -61.16 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.281 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.5 tt -62.84 -26.18 40.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.685 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.2 99.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.687 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.01 -36.4 84.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.712 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -58.77 -38.14 77.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.446 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.78 -39.53 91.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.373 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.506 HG13 HG21 ' A' ' 105' ' ' ILE . 71.3 t -63.76 -44.08 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.614 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.3 mt -63.42 -36.11 82.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.674 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.6 m -58.67 -42.08 87.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.17 -35.61 81.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.593 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -59.47 -36.89 76.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.481 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.66 -31.59 72.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.463 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.462 ' HB2' HG23 ' A' ' 100' ' ' VAL . 59.0 mt -80.91 -0.77 40.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.705 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 61.05 50.38 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.534 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 98' ' ' LEU . 44.0 t -102.41 139.55 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.457 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.4 t -54.36 141.5 30.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.815 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 105' ' ' ILE . 65.5 tp60 -59.3 -35.12 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.137 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.12 -41.9 68.88 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.742 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.42 HD12 ' CG1' ' A' ' 100' ' ' VAL . 78.4 mt -65.56 -37.24 86.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.237 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.506 HG21 HG13 ' A' ' 92' ' ' VAL . 82.4 mt -61.26 -38.93 80.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.683 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -58.02 -40.66 81.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.492 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.55 -36.93 85.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.436 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.16 -39.19 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.673 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.573 ' O ' ' N ' ' A' ' 113' ' ' GLY . 73.2 t -59.69 -41.26 84.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.1 m -59.86 -41.54 91.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.8 mt -59.91 -51.48 72.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.811 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 20.7 m -82.21 -20.59 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.637 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -76.41 9.97 18.77 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.7 m -59.64 135.54 57.71 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.395 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 72.9 t -70.07 -40.51 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.135 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -57.56 -43.08 84.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -62.38 -44.99 95.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.375 . . . . 0.0 110.537 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.436 HH21 ' HB3' ' A' ' 81' ' ' ASP . 62.6 ttt180 -58.66 -41.07 85.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.481 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -60.51 -36.25 77.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.933 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.486 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.3 m-20 -58.48 -38.42 77.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.837 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.16 -43.55 96.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.977 0.418 . . . . 0.0 110.511 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.777 HD21 ' OD1' ' A' ' 81' ' ' ASP . 90.4 mt -65.96 -26.64 67.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.801 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.486 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 78.7 m-20 61.49 44.71 9.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.55 -179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.397 179.871 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 125' ' ' HEB . . . . . 0.878 HMD2 HD11 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -119.32 148.51 43.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.0 tp -57.07 -37.84 72.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.686 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -62.25 -41.93 98.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.93 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.62 -34.32 77.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.266 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -58.4 -48.07 81.83 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.639 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.2 mt -71.0 -31.44 67.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.549 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.4 2.49 57.75 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.0 115.51 0.59 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.02 -34.41 77.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.672 0.272 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.43 -30.75 71.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.597 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.43 -29.53 70.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.499 ' O ' HG23 ' A' ' 18' ' ' VAL . 53.5 t -58.43 -44.87 89.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.866 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -60.66 -43.37 97.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.786 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.588 ' CD2' ' N ' ' A' ' 16' ' ' LEU . 2.3 mm? -68.94 -38.57 79.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.798 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.74 96.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.697 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 14' ' ' VAL . 73.1 t -64.9 -39.71 86.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.651 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.05 -39.94 87.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.988 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -61.09 -44.02 97.99 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.645 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.22 -43.67 86.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.201 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -59.5 -41.62 90.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.61 -41.59 82.35 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -61.13 -38.65 87.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.429 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.51 -42.55 95.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.614 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.38 -37.58 81.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.52 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.66 91.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.991 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -87.59 106.0 17.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.034 0.445 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -72.83 -27.32 61.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.123 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.5 mtm-85 -55.04 -42.1 72.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.764 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.8 m -78.56 -30.93 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -56.95 -33.52 67.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.694 ' O ' HG13 ' A' ' 36' ' ' VAL . 83.6 mtp180 -56.31 -38.24 71.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.143 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -69.66 -31.09 68.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.45 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -85.01 9.82 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.381 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 33' ' ' ARG . 33.9 m -64.53 -32.55 58.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.46 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -84.26 0.63 48.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.388 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.0 m -126.49 141.27 51.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.321 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 23.9 p-10 -73.13 159.27 33.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.57 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 68.8 mtm -59.89 -34.34 73.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.127 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.49 -58.13 9.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.061 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -62.43 -33.76 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 110.622 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.591 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 59.4 tt0 -54.2 -41.79 69.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.82 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -59.57 -37.0 77.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.692 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -59.11 -39.24 81.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.845 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.443 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 47.9 t-80 -59.94 -45.06 93.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.591 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.4 OUTLIER -59.04 -38.84 80.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.41 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -62.73 -48.06 80.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.387 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.43 -41.05 89.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.797 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.561 ' CE1' HBB3 ' A' ' 125' ' ' HEB . 64.7 t80 -61.86 -51.15 69.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.76 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.3 ttp -62.42 -37.81 87.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.294 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -62.17 -37.92 87.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.639 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -57.52 -37.61 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.966 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.05 -33.08 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.871 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -76.28 -5.4 46.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.677 ' O ' HG23 ' A' ' 58' ' ' THR . . . 96.5 10.34 55.73 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.25 77.68 0.01 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 56' ' ' GLY . 71.7 p -103.38 16.4 26.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.59 0.233 . . . . 0.0 110.989 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -53.43 -38.26 63.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.278 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -159.57 82.56 0.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.294 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.612 ' H ' ' HD2' ' A' ' 62' ' ' PRO . 10.4 m-85 -135.26 -63.65 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.516 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.612 ' HD2' ' H ' ' A' ' 61' ' ' PHE . 3.7 Cg_endo -49.63 -13.91 0.59 Allowed 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.946 1.764 . . . . 0.0 111.58 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.72 -172.81 49.24 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.559 -1.017 . . . . 0.0 110.559 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' SER . 94.1 mtt-85 50.17 23.22 1.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.746 0.308 . . . . 0.0 110.285 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' ARG . 2.0 m 34.81 88.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.799 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.1 mmt -59.82 -34.46 73.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.507 ' NH2' ' OD1' ' A' ' 120' ' ' ASP . 77.9 mtt85 -55.74 -39.51 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.791 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.2 90.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.37 80.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -92.01 -17.98 24.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.785 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -59.92 -38.98 83.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.682 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -57.84 -39.44 77.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.827 HD11 HMD2 ' A' ' 125' ' ' HEB . 68.9 mt -62.57 -39.71 94.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.613 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.0 t -65.37 -41.91 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.89 -36.41 83.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.856 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -89.08 -61.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.489 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.4 146.61 35.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.705 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.86 126.65 8.07 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.4 HD21 ' CG1' ' A' ' 121' ' ' VAL . 36.2 tp -104.59 132.71 50.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 0.0 110.679 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.56 ' HG1' ' CE1' ' A' ' 83' ' ' HIS . 72.6 p -120.86 161.43 21.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.535 ' CG ' ' NH2' ' A' ' 118' ' ' ARG . 82.9 m-20 -60.53 -36.89 79.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.003 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.492 HG12 ' OG1' ' A' ' 80' ' ' THR . 3.7 p -52.77 -36.96 24.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.0 -178.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.56 ' CE1' ' HG1' ' A' ' 80' ' ' THR . 78.7 m80 -57.47 -45.06 85.24 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.516 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -62.79 -45.04 94.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.28 -37.52 80.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.963 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.13 -59.01 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.133 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.2 tt -62.88 -32.69 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.768 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.85 -43.93 74.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.626 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.63 -37.33 85.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.713 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.09 -38.05 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.735 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.73 -39.96 93.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.677 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.88 -43.35 97.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.581 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.2 mt -64.16 -36.59 84.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.756 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.2 m -58.85 -42.57 89.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.798 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.67 -36.14 82.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.529 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.5 -37.05 79.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.494 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.86 -31.26 72.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.499 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.447 ' HB2' HG23 ' A' ' 100' ' ' VAL . 57.9 mt -81.3 0.35 37.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.696 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 61.89 51.06 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.574 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 98' ' ' LEU . 46.7 t -100.9 138.5 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.432 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.7 t -54.76 140.03 37.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.678 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.485 ' HA ' HD12 ' A' ' 105' ' ' ILE . 68.0 tp60 -59.13 -36.69 75.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.206 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.31 -42.92 74.35 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.683 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.31 -37.23 83.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 110.312 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 102' ' ' GLN . 80.4 mt -62.5 -39.1 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.753 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -57.9 -41.51 82.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.23 -37.87 86.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.4 . . . . 0.0 110.364 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.77 -39.38 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.684 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.567 ' O ' ' N ' ' A' ' 113' ' ' GLY . 79.5 t -60.1 -41.62 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.789 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.6 m -60.36 -41.27 93.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.768 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.4 mt -59.31 -52.0 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.919 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.8 m -81.64 -23.2 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.627 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -87.28 12.62 62.08 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.9 m -58.93 143.78 46.85 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.424 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.439 HG12 ' ND2' ' A' ' 119' ' ' ASN . 71.3 t -67.05 -41.8 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.8 -44.42 93.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.184 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -65.27 -46.93 78.49 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.677 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.535 ' NH2' ' CG ' ' A' ' 81' ' ' ASP . 75.5 ttt-85 -58.95 -43.57 91.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.457 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.439 ' ND2' HG12 ' A' ' 115' ' ' VAL . 86.7 m-20 -63.37 -37.17 86.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.674 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.507 ' OD1' ' NH2' ' A' ' 67' ' ' ARG . 89.8 m-20 -59.47 -39.27 83.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.705 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.4 ' CG1' HD21 ' A' ' 79' ' ' LEU . 76.2 t -62.37 -42.65 96.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.359 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.401 HD11 ' OD1' ' A' ' 81' ' ' ASP . 78.7 mt -81.25 -11.7 59.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.579 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 59.14 40.39 21.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.292 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.484 179.92 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 125' ' ' HEB . . . . . 0.827 HMD2 HD11 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -130.18 158.6 39.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.543 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.9 tp -56.23 -36.52 68.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.561 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -60.23 -39.64 87.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.047 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.11 -36.98 84.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.368 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -63.27 -54.11 42.29 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.943 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.536 HD12 HG22 ' A' ' 14' ' ' VAL . 76.5 mt -70.41 -37.73 74.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.772 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.91 15.13 75.92 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.52 110.19 0.4 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.06 -34.31 78.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.59 -35.53 78.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.604 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.46 -31.55 72.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 18' ' ' VAL . 84.8 t -60.79 -43.72 95.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.836 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -59.55 -41.25 89.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.5 tp -63.59 -42.52 98.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.662 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.59 -40.69 73.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.785 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 14' ' ' VAL . 72.1 t -64.51 -40.05 87.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.087 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -59.49 -41.46 89.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.895 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -62.82 -43.32 99.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.592 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -64.17 -42.77 96.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.946 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -57.97 -42.08 84.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.764 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.88 -45.1 94.01 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -61.99 -40.59 96.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.87 0.366 . . . . 0.0 110.213 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.02 -41.17 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.4 tp -58.57 -36.64 74.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.388 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.0 76.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.934 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -83.87 103.22 12.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.997 0.427 . . . . 0.0 110.793 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -72.14 -28.5 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.177 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -53.77 -41.84 67.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.827 -178.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.3 m -79.2 -30.55 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -57.25 -31.67 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.555 ' O ' HG23 ' A' ' 36' ' ' VAL . 72.9 mtp85 -53.77 -40.43 66.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.082 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -69.27 -32.18 71.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.204 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -86.01 9.33 17.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.407 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 33' ' ' ARG . 53.5 t -57.31 -38.47 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.435 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -85.47 6.13 28.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.43 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.4 m -120.48 141.64 50.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.433 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 50.6 p30 -76.6 162.67 27.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.744 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.7 mtt -61.76 -35.66 78.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.314 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.49 -58.51 7.34 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.152 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -60.24 -34.22 73.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.904 0.383 . . . . 0.0 110.515 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.584 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 58.2 tt0 -54.48 -41.92 70.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.022 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -61.28 -36.55 80.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.575 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -61.16 -40.88 95.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.43 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 51.4 t-80 -60.79 -46.56 90.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.806 0.336 . . . . 0.0 110.807 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.584 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.5 OUTLIER -60.94 -37.82 83.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.794 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -60.25 -46.84 88.41 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.327 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -66.47 -38.52 87.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.478 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.56 ' CD1' HBB3 ' A' ' 125' ' ' HEB . 64.7 t80 -60.35 -47.56 85.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.052 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.5 ttt -64.7 -41.26 96.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.176 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.627 HG22 ' HA3' ' A' ' 57' ' ' GLY . 47.8 m -60.13 -43.92 95.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.97 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -63.22 -36.75 84.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.797 ' O ' HG21 ' A' ' 111' ' ' ILE . . . -59.56 -32.69 70.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -87.38 10.34 17.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.442 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.592 ' O ' ' N ' ' A' ' 58' ' ' THR . . . 87.34 24.23 37.5 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.627 ' HA3' HG22 ' A' ' 52' ' ' THR . . . -58.53 69.89 0.01 OUTLIER Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.592 ' N ' ' O ' ' A' ' 56' ' ' GLY . 44.2 p -109.08 29.78 7.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.412 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 23.2 p-10 -52.03 -53.25 44.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.727 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 33.4 ptt180 179.48 54.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.173 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -51.39 154.32 3.13 Favored Pre-proline 0 C--N 1.328 -0.327 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.206 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -52.55 148.35 27.37 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.772 2.315 . . . . 0.0 112.331 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.89 -144.39 0.43 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 67.6 -130.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.1 p -148.34 133.03 17.85 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.952 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 mmt -64.15 -33.65 76.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.31 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.605 HH12 ' C ' ' A' ' 124' ' ' ARG . 86.2 mtt180 -56.53 -38.62 72.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.929 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.47 83.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.711 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.3 -35.34 80.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -97.19 -12.29 23.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.099 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' ARG . 50.8 tt0 -58.46 -37.97 76.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 110.766 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -57.91 -39.81 78.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.712 HD11 HMD2 ' A' ' 125' ' ' HEB . 59.2 mt -60.99 -40.51 93.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.881 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.0 t -61.96 -40.0 85.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.058 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.3 -36.9 81.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.823 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -95.24 -61.81 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.348 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.76 143.76 40.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 111.199 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.85 119.22 5.19 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.419 ' CD2' HG13 ' A' ' 121' ' ' VAL . 40.1 tp -106.27 130.89 54.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.773 0.32 . . . . 0.0 110.773 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.526 ' OG1' HG12 ' A' ' 82' ' ' VAL . 30.8 p -125.14 164.67 19.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.663 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.849 ' OD2' HD11 ' A' ' 122' ' ' LEU . 95.5 m-20 -57.54 -34.91 69.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.196 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.526 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.8 p -51.13 -38.46 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.824 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.416 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 68.1 m80 -57.91 -41.41 82.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.9 0.381 . . . . 0.0 110.364 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.95 -43.87 91.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.574 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -59.67 -36.69 76.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.187 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.7 -59.01 4.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.494 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.2 tt -62.84 -32.72 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.787 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.21 -40.99 90.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.97 0.415 . . . . 0.0 110.359 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.37 -36.38 82.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.548 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -57.05 -39.05 74.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.532 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.33 -39.63 91.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.321 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.511 HG13 HG21 ' A' ' 105' ' ' ILE . 77.0 t -64.28 -42.84 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.629 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.4 mt -64.34 -36.21 83.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.1 m -58.48 -42.03 86.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.8 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.3 mt -62.9 -36.04 82.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.583 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -60.72 -36.37 78.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.57 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.93 -32.64 73.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.508 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.459 ' HB2' HG23 ' A' ' 100' ' ' VAL . 57.5 mt -83.72 -0.34 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.739 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.4 t30 60.39 51.23 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.617 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.572 ' CG1' HD12 ' A' ' 104' ' ' LEU . 43.5 t -100.16 140.4 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.352 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.9 t -52.7 141.87 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.547 ' OE1' HD12 ' A' ' 105' ' ' ILE . 27.5 tp60 -59.12 -35.68 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.141 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -53.62 -41.35 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.729 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.572 HD12 ' CG1' ' A' ' 100' ' ' VAL . 77.5 mt -65.84 -37.41 86.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.904 0.383 . . . . 0.0 110.328 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.547 HD12 ' OE1' ' A' ' 102' ' ' GLN . 87.1 mt -60.68 -39.65 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.693 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -59.11 -40.16 84.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.627 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.88 -38.28 90.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.441 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 72.2 t -64.93 -40.15 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.678 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 77.8 t -61.55 -41.29 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.89 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 52.5 m -59.49 -40.74 87.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.394 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.797 HG21 ' O ' ' A' ' 54' ' ' ALA . 85.1 mt -58.86 -49.68 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.834 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.534 ' C ' ' H ' ' A' ' 114' ' ' SER . 14.0 m -80.83 -20.14 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.563 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.99 7.04 0.3 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.534 ' H ' ' C ' ' A' ' 112' ' ' VAL . 49.0 m -59.57 131.36 50.71 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.434 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.437 HG12 HD21 ' A' ' 119' ' ' ASN . 73.6 t -70.32 -40.94 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -58.06 -42.57 85.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.428 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -63.1 -46.28 88.1 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.477 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -59.96 -41.64 92.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.402 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.437 HD21 HG12 ' A' ' 115' ' ' VAL . 85.1 m-20 -59.79 -36.41 76.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.704 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.505 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 91.0 m-20 -58.44 -37.13 74.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.521 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.419 HG13 ' CD2' ' A' ' 79' ' ' LEU . 58.0 t -60.94 -43.16 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.353 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.849 HD11 ' OD2' ' A' ' 81' ' ' ASP . 77.5 mt -77.36 -15.96 59.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.737 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.505 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 88.8 m-20 60.6 48.0 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.894 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.605 ' C ' HH12 ' A' ' 67' ' ' ARG . 16.3 mtp180 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.205 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' HEB . . . . . 0.712 HMD2 HD11 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -119.63 147.81 44.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.489 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 44.1 tp -56.68 -39.42 73.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.436 ' HE1' ' HB2' ' A' ' 11' ' ' ALA . 78.7 t80 -59.67 -43.3 94.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.745 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.6 -38.2 89.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -62.57 -50.5 71.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.036 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.428 ' CD1' HG22 ' A' ' 14' ' ' VAL . 79.3 mt -72.29 -40.85 67.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.762 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.37 17.94 79.57 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.23 116.59 0.62 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.436 ' HB2' ' HE1' ' A' ' 5' ' ' TYR . . . -66.68 -35.77 80.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.798 0.332 . . . . 0.0 110.827 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.1 -34.32 76.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.78 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.54 -29.72 70.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG22 ' CD1' ' A' ' 8' ' ' LEU . 86.6 t -60.37 -43.95 94.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.885 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -61.06 -43.2 99.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.753 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.555 ' CD2' ' N ' ' A' ' 16' ' ' LEU . 2.9 mm? -68.33 -37.65 80.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.7 94.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.449 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.22 -40.52 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.707 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -62.16 -46.43 89.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.171 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -62.84 -40.64 98.07 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.662 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.501 ' O ' HG23 ' A' ' 25' ' ' VAL . 60.1 t80 -63.71 -46.37 85.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.478 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -60.81 -42.22 97.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.87 -46.96 91.8 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.527 ' NZ ' ' OD1' ' A' ' 90' ' ' ASN . 65.0 tttm -62.5 -39.77 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 110.5 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 21' ' ' PHE . 75.9 t -62.07 -40.43 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.429 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.3 tp -59.23 -36.49 75.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.525 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.13 91.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.62 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.519 ' O ' HG22 ' A' ' 31' ' ' VAL . 58.1 t0 -92.02 101.6 14.14 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.528 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.86 -21.58 60.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.47 ' CZ ' ' OD1' ' A' ' 28' ' ' ASP . 90.2 mtm-85 -52.4 -40.3 61.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.208 -179.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 28' ' ' ASP . 19.6 m -78.38 -31.02 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.69 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -58.73 -31.52 68.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -54.66 -39.36 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.881 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -68.55 -30.77 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.249 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.494 ' O ' ' O ' ' A' ' 38' ' ' THR . 95.3 m-85 -86.16 5.17 35.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.519 -179.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.6 t -57.58 -46.17 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.42 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -62.58 -34.91 77.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.517 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 35' ' ' PHE . 34.7 m -90.5 140.29 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.508 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.8 p30 -75.64 167.96 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.551 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.37 -34.34 75.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.194 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.66 -59.27 5.7 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.969 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.74 -32.48 73.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 0.0 110.544 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.554 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 59.1 tt0 -55.47 -44.2 76.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -62.85 -39.25 93.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.83 0.348 . . . . 0.0 110.438 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -61.48 -39.71 91.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.762 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -58.98 -45.24 91.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.568 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.604 ' OE1' ' N ' ' A' ' 47' ' ' GLN . 0.6 OUTLIER -61.31 -38.36 86.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.542 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -61.58 -50.9 70.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.437 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -66.24 -40.02 89.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.669 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.562 ' CE1' HBB3 ' A' ' 125' ' ' HEB . 63.5 t80 -61.6 -49.33 77.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.785 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.7 ttt -64.88 -46.02 83.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.749 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.676 HG22 ' HA3' ' A' ' 57' ' ' GLY . 44.1 m -62.04 -40.83 97.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.705 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -61.03 -37.37 82.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.729 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.34 -32.12 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -86.25 5.93 32.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.654 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.737 ' O ' HG23 ' A' ' 58' ' ' THR . . . 93.39 11.45 58.32 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.676 ' HA3' HG22 ' A' ' 52' ' ' THR . . . -56.12 74.43 0.01 OUTLIER Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.737 HG23 ' O ' ' A' ' 56' ' ' GLY . 50.6 p -71.68 -10.55 59.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.864 0.364 . . . . 0.0 110.505 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 60' ' ' ARG . 56.4 t0 -57.31 153.83 11.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.715 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.528 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 84.5 mtt180 58.49 -160.88 0.26 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.673 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.608 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 0.3 OUTLIER 50.42 57.87 17.4 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.447 -179.799 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -64.4 137.62 56.46 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.755 2.303 . . . . 0.0 112.139 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.97 -174.68 55.28 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.592 ' O ' ' N ' ' A' ' 66' ' ' MET . 62.4 ttm-85 -116.02 -98.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.52 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' ARG . 74.7 p 34.99 26.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.592 ' N ' ' O ' ' A' ' 64' ' ' ARG . 20.8 mmt -59.97 -35.35 74.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.685 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 71' ' ' GLN . 96.6 mtt180 -57.87 -36.94 73.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.755 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.36 80.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.746 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.77 85.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -95.4 -14.24 23.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 67' ' ' ARG . 48.6 tt0 -56.95 -40.45 76.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.804 0.335 . . . . 0.0 110.485 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -59.78 -38.46 81.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.451 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.558 HD11 HMD2 ' A' ' 125' ' ' HEB . 88.8 mt -61.06 -43.3 99.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.825 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.9 t -65.81 -44.03 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.01 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.44 -35.09 79.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.645 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -92.04 -60.55 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . -104.82 150.13 25.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.051 0.453 . . . . 0.0 110.902 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.29 114.65 4.44 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -98.78 135.96 39.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.689 0.28 . . . . 0.0 110.326 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.544 ' OG1' ' ND1' ' A' ' 83' ' ' HIS . 43.4 p -115.01 159.26 21.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.574 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -60.74 -37.43 81.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.248 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 p -57.52 -39.2 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.224 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.544 ' ND1' ' OG1' ' A' ' 80' ' ' THR . 40.9 m80 -57.23 -45.03 84.26 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.698 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -61.43 -45.73 93.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.401 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.04 -35.58 80.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.687 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.34 -59.46 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -63.24 -33.06 58.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.656 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.17 -43.46 78.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.967 0.413 . . . . 0.0 110.504 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.02 -37.16 83.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.422 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.527 ' OD1' ' NZ ' ' A' ' 24' ' ' LYS . 87.4 m-20 -57.68 -37.86 74.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.549 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.72 -40.52 92.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.512 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 72.0 t -65.23 -43.56 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.667 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.23 -35.34 80.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.534 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.5 m -57.97 -40.87 81.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.682 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.44 -37.34 83.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.57 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.9 -37.15 81.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.518 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.04 -33.19 75.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.752 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.415 ' HB2' HG23 ' A' ' 100' ' ' VAL . 60.5 mt -84.47 -0.81 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.7 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 49.2 t30 59.61 52.77 5.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.551 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.415 HG23 ' HB2' ' A' ' 98' ' ' LEU . 40.4 t -93.0 137.55 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.32 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.2 t -55.11 142.62 30.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.647 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.424 ' HA ' HD12 ' A' ' 105' ' ' ILE . 57.7 tp60 -57.22 -37.24 71.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.903 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -56.7 -42.86 79.83 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.757 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.5 -38.0 83.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 110.435 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 102' ' ' GLN . 83.6 mt -62.29 -39.36 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.526 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -58.31 -38.68 77.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.645 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.08 -37.78 88.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.416 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.524 ' O ' HG22 ' A' ' 112' ' ' VAL . 75.0 t -65.67 -39.96 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.585 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.591 ' O ' ' N ' ' A' ' 113' ' ' GLY . 75.2 t -61.55 -41.46 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.766 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.0 m -62.32 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.707 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.9 mt -62.23 -52.11 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 108' ' ' VAL . 20.4 m -79.02 -23.62 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.897 0.38 . . . . 0.0 110.344 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -56.5 -26.09 51.26 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.2 m -41.3 118.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.004 0.43 . . . . 0.0 110.507 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.543 HG12 ' ND2' ' A' ' 119' ' ' ASN . 68.9 t -66.99 -33.78 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.023 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -51.53 -44.26 62.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.948 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -65.34 -45.75 82.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.576 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -58.81 -43.7 90.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.514 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.543 ' ND2' HG12 ' A' ' 115' ' ' VAL . 86.3 m-20 -63.79 -37.85 88.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.455 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 93.2 m-20 -59.62 -39.73 85.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.787 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.95 -43.68 99.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.397 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.1 mt -75.08 -16.32 60.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.511 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 76.3 m-20 60.49 44.46 11.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.547 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 65.4 mtp85 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.561 179.845 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 125' ' ' HEB . . . . . 0.579 HMB1 HBB2 ' A' ' 125' ' ' HEB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -118.02 140.09 50.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.547 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.435 HD22 HG23 ' A' ' 52' ' ' THR . 40.0 tp -59.33 -37.93 79.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.632 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -62.39 -43.47 98.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.723 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -67.62 -36.76 81.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -59.82 -53.67 55.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.998 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.0 mt -71.73 -37.65 70.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.757 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.01 3.62 69.99 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.82 109.35 0.39 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.54 -34.23 77.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.708 0.29 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.67 -33.79 75.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.796 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.56 -30.31 71.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.539 ' O ' HG23 ' A' ' 18' ' ' VAL . 75.8 t -60.08 -42.22 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.901 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -59.41 -43.53 93.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.955 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.583 ' N ' HD12 ' A' ' 16' ' ' LEU . 7.7 mp -70.93 -40.72 71.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.719 0.295 . . . . 0.0 110.847 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.93 -41.94 90.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.642 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 14' ' ' VAL . 70.4 t -66.69 -38.2 81.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.978 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.88 -42.31 79.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.998 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -63.69 -42.31 98.03 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.574 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -63.33 -43.05 98.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.657 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -57.41 -41.49 80.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.04 -44.87 92.86 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -62.52 -41.4 98.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.466 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.17 -45.08 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.505 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.93 -35.85 82.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.487 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.58 -35.95 81.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -85.93 108.67 18.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -73.27 -26.33 61.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.006 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -54.78 -41.94 71.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.445 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.9 m -80.73 -30.08 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.779 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -56.45 -30.53 62.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.515 ' O ' HG23 ' A' ' 36' ' ' VAL . 82.3 mtm180 -53.51 -39.67 64.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.693 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -70.9 -30.5 66.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -87.15 9.71 19.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.24 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 33' ' ' ARG . 54.4 t -58.01 -41.83 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.469 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -86.89 5.84 34.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.49 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.7 m -120.47 141.42 50.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.582 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.8 p30 -82.48 163.95 21.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.764 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.0 mtt -62.38 -35.3 78.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.177 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.45 -59.19 5.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.77 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -62.34 -33.43 74.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.382 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.468 ' HG2' HE21 ' A' ' 47' ' ' GLN . 62.1 tt0 -53.74 -42.06 67.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.79 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -62.72 -38.1 89.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -59.77 -42.48 93.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.491 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 56.4 t-80 -65.94 -48.91 69.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.604 ' OE1' ' N ' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -61.53 -39.94 92.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.683 -179.853 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -61.92 -47.58 84.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.446 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -64.31 -39.62 94.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.436 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.405 ' CD1' HBB3 ' A' ' 125' ' ' HEB . 3.3 t80 -62.68 -46.04 90.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.7 ttt -61.17 -38.8 87.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.73 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.435 HG23 HD22 ' A' ' 4' ' ' LEU . 51.4 m -62.71 -38.57 90.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.748 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -57.86 -37.5 74.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.894 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.68 -33.32 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.902 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -77.65 -2.87 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 58' ' ' THR . . . 95.77 7.83 58.59 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.61 66.79 0.04 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 56' ' ' GLY . 72.0 p -65.27 -34.48 78.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.671 0.272 . . . . 0.0 110.885 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 58' ' ' THR . 87.8 m-20 37.14 -110.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.744 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -109.2 12.36 24.98 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.139 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.53 ' N ' ' CD ' ' A' ' 62' ' ' PRO . 7.7 m-85 -62.92 -39.75 56.0 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 61' ' ' PHE . 68.5 Cg_exo -47.5 -16.79 0.48 Allowed 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 121.82 1.68 . . . . 0.0 112.278 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.77 162.45 4.29 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.564 ' O ' ' CB ' ' A' ' 65' ' ' SER . 83.5 mtp180 -102.85 127.43 50.04 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.956 -0.297 . . . . 0.0 110.608 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 1.3 p 151.79 -8.65 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.243 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.7 mmt -58.25 -36.86 73.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.847 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.27 -39.76 83.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.865 0.364 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.08 83.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.651 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.76 -36.86 85.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.749 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -94.45 -13.23 26.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.76 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -59.42 -37.89 79.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.801 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -57.45 -40.83 79.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.594 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.844 HD11 HMD2 ' A' ' 125' ' ' HEB . 76.7 mt -64.39 -38.9 92.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.624 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.16 -41.78 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.31 -35.22 79.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -91.5 -61.79 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.497 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.72 148.79 31.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.32 108.34 2.92 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 36.3 tp -100.76 129.05 46.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.624 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.509 ' OG1' HG12 ' A' ' 82' ' ' VAL . 69.0 p -122.85 166.48 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.624 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.791 ' OD2' HD11 ' A' ' 122' ' ' LEU . 94.3 m-20 -55.27 -34.64 64.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.398 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.509 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.4 p -49.58 -40.23 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.763 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.457 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 76.5 m80 -60.51 -42.79 97.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.422 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -59.24 -44.05 92.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.493 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.28 -35.62 81.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.62 -59.97 4.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.478 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.0 tt -62.07 -26.72 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.579 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.34 96.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -64.59 -35.39 80.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.789 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -56.72 -39.72 74.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.52 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.95 -38.19 90.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.621 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.476 HG13 HG21 ' A' ' 105' ' ' ILE . 70.2 t -62.14 -43.2 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.667 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.15 -36.59 82.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.649 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.4 m -59.11 -43.01 91.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.671 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.35 -36.29 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -60.52 -36.84 79.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.372 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.85 -31.22 72.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.439 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.409 ' HB2' HG23 ' A' ' 100' ' ' VAL . 57.1 mt -83.17 2.93 33.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.592 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 61.98 51.48 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.409 HG23 ' HB2' ' A' ' 98' ' ' LEU . 46.3 t -100.72 138.05 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.3 t -59.43 143.76 48.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.68 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.458 ' HA ' HD12 ' A' ' 105' ' ' ILE . 13.6 tp60 -58.14 -36.11 72.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.894 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -55.49 -42.49 74.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.649 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.2 mt -66.75 -37.61 84.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.418 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.476 HG21 HG13 ' A' ' 92' ' ' VAL . 80.4 mt -62.81 -38.48 81.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.661 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -57.9 -39.4 77.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.658 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.63 -36.23 83.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.522 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.3 t -64.81 -39.77 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.628 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 113' ' ' GLY . 78.3 t -60.81 -41.13 87.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.8 m -60.25 -41.41 93.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.933 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.83 -50.59 78.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.77 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.518 ' C ' ' H ' ' A' ' 114' ' ' SER . 18.9 m -81.69 -19.04 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.518 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -67.67 14.02 0.58 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.518 ' H ' ' C ' ' A' ' 112' ' ' VAL . 60.3 m -58.64 128.74 38.69 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.368 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.68 -41.59 80.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -58.35 -42.43 86.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.086 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -63.51 -45.88 88.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.447 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.56 ' HE ' ' CG ' ' A' ' 81' ' ' ASP . 71.7 ttt180 -59.69 -41.27 90.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -60.21 -36.85 78.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.487 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 90.4 m-20 -58.86 -38.0 77.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.1 t -61.64 -42.19 93.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.664 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.791 HD11 ' OD2' ' A' ' 81' ' ' ASP . 64.1 mt -83.33 -10.91 58.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.776 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.487 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 87.4 m-20 58.27 43.8 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.814 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.422 HH11 ' HB3' ' A' ' 122' ' ' LEU . 65.1 mtt85 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.554 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' HEB . . . . . 0.844 HMD2 HD11 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.1 p -126.16 157.16 38.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.4 tp -56.28 -37.21 69.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.481 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.684 ' CE1' ' N ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -57.81 -43.35 85.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.34 -39.03 91.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -63.24 -49.87 72.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.053 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.858 HD12 HG22 ' A' ' 14' ' ' VAL . 67.2 mt -68.2 -36.33 79.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.804 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.71 8.12 70.49 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.499 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -147.1 103.61 0.27 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.684 ' N ' ' CE1' ' A' ' 5' ' ' TYR . . . -64.37 -39.7 94.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.771 0.319 . . . . 0.0 110.679 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.01 -39.0 92.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.586 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.57 -32.86 74.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.711 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.858 HG22 HD12 ' A' ' 8' ' ' LEU . 92.2 t -61.74 -42.71 95.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.731 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.52 -40.44 91.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.283 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.86 -41.36 91.29 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.059 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.96 -36.64 84.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.895 0.379 . . . . 0.0 110.489 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.3 -37.48 80.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.029 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -59.87 -39.93 86.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.178 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -62.9 -43.63 98.28 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.33 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -71.0 -50.09 38.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.517 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -60.7 -42.81 97.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.981 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.14 -45.91 93.38 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.588 ' HZ3' ' HB2' ' A' ' 93' ' ' LEU . 10.9 tttt -63.23 -42.66 99.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.3 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.51 -39.59 85.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.18 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 tp -59.13 -36.59 75.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.412 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.41 83.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.408 ' O ' HG22 ' A' ' 31' ' ' VAL . 59.5 t0 -86.01 106.72 17.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.832 0.349 . . . . 0.0 110.52 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -75.91 -20.2 58.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -57.2 -40.54 77.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.256 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 28' ' ' ASP . 13.9 m -81.21 -30.67 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.981 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.19 -33.99 68.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.261 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 36' ' ' VAL . 95.5 mtt180 -56.35 -39.99 73.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.784 0.326 . . . . 0.0 110.92 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -69.89 -32.49 70.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.327 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.494 ' O ' ' O ' ' A' ' 38' ' ' THR . 81.7 m-85 -83.18 5.91 21.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.24 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 33' ' ' ARG . 53.0 t -57.21 -43.23 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.401 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -59.6 -33.71 71.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.585 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 35' ' ' PHE . 62.8 m -98.91 141.62 31.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.732 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.438 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.5 p30 -76.76 165.72 24.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.687 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -61.27 -35.42 77.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.201 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.03 -58.52 8.09 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.962 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -61.94 -33.62 74.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.752 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.589 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 58.8 tt0 -55.0 -41.65 71.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.925 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -60.54 -37.1 80.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.373 . . . . 0.0 110.452 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -60.55 -39.08 86.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.709 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.416 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 52.3 t-80 -59.01 -43.4 91.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.743 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -59.61 -38.2 80.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.478 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -61.3 -49.77 75.67 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.317 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -68.35 -41.97 79.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.418 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.517 ' CE1' HBB3 ' A' ' 125' ' ' HEB . 65.9 t80 -63.39 -46.47 86.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.755 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.5 ttt -61.04 -40.83 95.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.72 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.4 m -63.23 -38.03 89.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.657 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.483 ' CE1' HG22 ' A' ' 58' ' ' THR . 70.3 t80 -57.75 -37.52 73.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.07 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.84 67.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.97 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -82.19 1.52 35.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.48 12.43 61.17 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.5 47.09 0.7 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 61' ' ' PHE . 58.8 p -65.5 -30.08 70.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.626 0.25 . . . . 0.0 110.833 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' THR . 89.1 m-20 34.44 -97.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.667 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 58' ' ' THR . 38.6 ptt180 -120.35 3.06 10.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.515 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 58' ' ' THR . 8.8 m-85 -35.69 -61.56 0.53 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.226 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 61' ' ' PHE . 29.5 Cg_exo -35.66 141.04 0.11 Allowed 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.325 2.017 . . . . 0.0 112.009 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.88 137.65 2.27 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -56.33 -34.53 66.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.727 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.1 m -54.13 -32.3 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.644 ' SD ' HMA2 ' A' ' 125' ' ' HEB . 22.9 mmt -55.67 -38.08 69.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.594 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -61.36 -37.03 81.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.553 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.35 -34.19 77.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.748 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.11 88.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.771 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -92.02 -17.57 24.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.766 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -58.99 -37.97 78.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.798 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -58.22 -39.91 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.71 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.811 HD11 HMD2 ' A' ' 125' ' ' HEB . 75.5 mt -62.04 -37.85 86.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.505 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.27 -41.85 93.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.773 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.9 -36.15 83.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -89.49 -61.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.78 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.45 146.99 34.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.641 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -84.3 103.09 2.58 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 tp -103.11 131.32 50.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.718 0.294 . . . . 0.0 110.326 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.561 ' OG1' HG12 ' A' ' 82' ' ' VAL . 49.0 p -121.85 168.32 11.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.605 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.731 ' OD2' HD11 ' A' ' 122' ' ' LEU . 94.5 m-20 -54.26 -35.29 62.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.468 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.561 HG12 ' OG1' ' A' ' 80' ' ' THR . 3.2 p -51.11 -38.05 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.69 -179.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.412 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 77.5 m80 -58.39 -44.2 88.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.355 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.423 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 67.4 t80 -60.2 -43.03 96.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.254 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.84 -37.2 81.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.829 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.96 -60.8 2.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.141 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.8 tt -62.69 -26.68 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.921 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' PHE . . . -62.87 -43.85 97.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.839 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.18 -35.79 82.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.591 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.98 -38.63 73.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.522 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.7 tp -63.31 -39.4 94.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.547 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.553 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 75.0 t -64.24 -43.29 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.786 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.588 ' HB2' ' HZ3' ' A' ' 24' ' ' LYS . 82.3 mt -61.14 -36.61 80.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.722 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 50.4 m -60.19 -40.49 90.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.766 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.678 HD12 HG23 ' A' ' 105' ' ' ILE . 78.6 mt -61.63 -36.83 81.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.899 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.704 ' NE2' HD13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -60.14 -35.54 75.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.359 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.66 -32.04 73.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.501 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.441 ' HB2' HG23 ' A' ' 100' ' ' VAL . 59.8 mt -82.67 -0.47 47.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.3 t30 61.07 52.21 4.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.582 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 98' ' ' LEU . 46.5 t -99.68 139.0 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.51 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.4 t -54.44 139.68 36.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.71 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -58.23 -37.34 74.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.228 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -56.93 -43.8 81.85 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.904 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.6 mt -68.55 -39.01 81.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.5 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.704 HD13 ' NE2' ' A' ' 96' ' ' GLN . 94.8 mt -63.63 -37.54 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.02 -39.77 79.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.469 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.77 -35.41 81.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.38 -39.32 84.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.721 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.555 ' O ' ' N ' ' A' ' 113' ' ' GLY . 70.6 t -59.88 -41.6 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.709 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.5 m -60.41 -41.51 94.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.9 mt -59.02 -50.88 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.75 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.9 m -82.2 -22.11 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.529 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -82.29 11.39 50.37 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.9 m -59.28 139.5 56.93 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.401 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 68.9 t -69.12 -42.11 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -59.49 -43.37 93.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.014 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -61.24 -43.3 99.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.91 0.386 . . . . 0.0 110.412 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.553 HH21 ' CB ' ' A' ' 81' ' ' ASP . 78.7 ttt180 -57.71 -39.56 77.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.51 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -58.94 -37.24 76.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.484 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.1 m-20 -59.26 -37.57 77.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.651 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.75 -42.67 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.607 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.731 HD11 ' OD2' ' A' ' 81' ' ' ASP . 79.1 mt -83.16 -10.03 58.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.778 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.484 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 81.3 m-20 58.5 43.96 18.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 122' ' ' LEU . 82.4 mmt-85 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.396 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' HEB . . . . . 0.811 HMD2 HD11 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -119.49 145.34 46.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.0 tp -55.04 -37.22 66.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.335 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -56.15 -43.63 78.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.59 -36.6 84.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.943 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -62.36 -52.39 63.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.181 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.911 HD12 HG22 ' A' ' 14' ' ' VAL . 69.7 mt -70.77 -38.01 73.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.7 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.04 26.83 65.61 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.495 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -167.08 126.19 1.41 Allowed Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.48 95.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.775 0.321 . . . . 0.0 110.666 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.52 -37.76 88.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.536 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.53 -37.12 86.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.557 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.911 HG22 HD12 ' A' ' 8' ' ' LEU . 92.2 t -63.3 -47.42 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.557 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -64.47 -38.6 91.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.8 tp -56.9 -41.69 78.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.73 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.89 -36.87 80.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.806 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.62 -40.82 90.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.064 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -62.39 -39.47 93.32 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.994 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -62.85 -45.29 93.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.426 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -69.61 -44.15 71.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.707 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.564 ' HE2' HD11 ' A' ' 26' ' ' LEU . 66.3 t80 -58.01 -42.26 84.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.974 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.46 -40.84 92.84 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -61.44 -37.19 82.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.819 0.342 . . . . 0.0 110.698 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.7 -41.24 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.564 HD11 ' HE2' ' A' ' 22' ' ' TYR . 73.6 mt -60.72 -34.92 75.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.09 95.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.419 ' OD2' HG13 ' A' ' 31' ' ' VAL . 61.6 t0 -89.88 105.08 17.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.934 0.397 . . . . 0.0 110.795 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -73.06 -28.31 62.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.8 mtm-85 -54.88 -42.27 71.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.767 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.419 HG13 ' OD2' ' A' ' 28' ' ' ASP . 30.0 m -80.11 -29.8 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.718 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -57.41 -34.33 68.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.292 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -52.59 -40.01 62.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.961 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -68.3 -30.45 69.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.172 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.482 ' O ' ' O ' ' A' ' 38' ' ' THR . 97.2 m-85 -94.41 -2.6 51.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.695 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 t -60.57 -47.45 92.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.301 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -63.11 -35.51 80.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.044 0.449 . . . . 0.0 110.095 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.677 HG23 ' NZ ' ' A' ' 42' ' ' LYS . 62.8 m -86.23 141.04 29.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.435 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.496 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 49.7 p30 -68.17 151.65 46.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.993 0.425 . . . . 0.0 110.64 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.4 mtt -61.24 -34.06 74.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.038 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.15 -59.17 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.159 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.677 ' NZ ' HG23 ' A' ' 38' ' ' THR . 6.0 mtmp? -62.43 -33.85 75.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 110.673 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.589 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 60.2 tt0 -56.3 -42.32 77.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -59.67 -38.39 81.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.98 0.419 . . . . 0.0 110.698 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.99 -38.14 84.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.434 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 43.7 t-80 -59.93 -45.12 93.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.157 -179.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -59.86 -39.35 84.9 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.857 -179.754 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -61.54 -48.57 80.4 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.047 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -66.53 -40.14 88.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.406 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.587 ' CE1' HBB3 ' A' ' 125' ' ' HEB . 68.8 t80 -61.34 -46.34 90.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.545 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.3 tpt -61.84 -39.94 93.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.63 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.506 HG22 ' HA3' ' A' ' 57' ' ' GLY . 42.5 m -60.86 -42.59 98.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.62 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -61.78 -41.95 98.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.771 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.87 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -75.04 -0.07 17.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.668 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.0 1.56 58.4 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.506 ' HA3' HG22 ' A' ' 52' ' ' THR . . . -73.27 51.36 1.72 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.59 ' O ' ' CD2' ' A' ' 61' ' ' PHE . 44.4 p -60.76 -32.39 71.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.669 0.271 . . . . 0.0 110.7 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 60' ' ' ARG . 58.9 t0 41.24 37.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.297 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 31.27 79.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.044 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 58' ' ' THR . 50.4 m-85 -71.13 151.55 94.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.376 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -41.12 -60.66 0.59 Allowed 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 122.371 2.047 . . . . 0.0 112.046 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.15 -7.2 72.67 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 64.8 ttt-85 -99.02 -66.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 110.636 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.3 p -62.17 -20.58 64.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.77 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 mmt -56.22 -39.46 72.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.687 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.93 -40.59 96.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 110.486 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.84 -33.87 75.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.23 -37.57 83.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.674 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -94.22 -16.91 23.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.678 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.34 -37.06 76.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.8 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -55.87 -40.86 73.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.757 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.692 HD11 HMD2 ' A' ' 125' ' ' HEB . 71.5 mt -64.6 -39.63 94.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.585 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.25 -41.08 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.33 -36.54 84.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.982 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -92.18 -61.26 1.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.203 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.5 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.38 148.73 31.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 0.0 110.991 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -83.75 111.09 3.39 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.4 tp -101.13 132.38 46.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.784 0.326 . . . . 0.0 110.602 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.517 ' OG1' HG12 ' A' ' 82' ' ' VAL . 28.2 p -123.11 166.53 15.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.607 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.592 ' OD1' HD11 ' A' ' 122' ' ' LEU . 94.4 m-20 -56.44 -34.53 66.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.699 -179.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.517 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.2 p -50.37 -38.35 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.807 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.432 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 78.2 m80 -57.94 -42.85 85.73 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.352 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.66 -45.15 95.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.503 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -62.23 -37.97 87.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.46 -57.71 6.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.4 tt -62.37 -30.44 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 110.611 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.36 92.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.64 -37.51 84.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.617 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.69 -37.91 77.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.9 tp -60.68 -38.82 86.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.655 HG13 HG21 ' A' ' 105' ' ' ILE . 78.7 t -62.23 -42.78 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.767 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.3 mt -62.09 -37.12 83.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.593 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.7 m -59.77 -41.76 91.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.683 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.713 HD12 HG23 ' A' ' 105' ' ' ILE . 73.4 mt -62.8 -36.37 82.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.01 -37.03 78.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.511 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.82 -31.29 72.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.528 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.404 ' HB2' HG23 ' A' ' 100' ' ' VAL . 59.5 mt -82.31 1.47 36.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.689 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 61.63 50.64 4.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.641 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.404 HG23 ' HB2' ' A' ' 98' ' ' LEU . 47.2 t -102.98 138.26 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.6 t -56.25 142.84 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.612 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.565 ' HA ' HD12 ' A' ' 105' ' ' ILE . 67.9 tp60 -58.27 -37.01 74.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.123 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -55.88 -42.73 76.35 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.697 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.9 -36.88 83.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.443 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.713 HG23 HD12 ' A' ' 95' ' ' LEU . 81.1 mt -60.73 -40.21 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.675 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -58.42 -40.0 81.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.52 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.24 -36.88 83.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.383 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.56 -39.86 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 113' ' ' GLY . 78.9 t -61.07 -40.87 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.671 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.6 m -60.0 -41.2 91.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.5 mt -58.57 -50.79 77.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.687 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.0 m -82.32 -19.75 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.417 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -88.31 64.72 3.5 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.4 m -115.85 144.37 44.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.422 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.67 -41.5 92.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.25 -44.57 92.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.96 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -64.28 -43.2 95.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.366 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.486 ' NH2' ' OD2' ' A' ' 81' ' ' ASP . 78.3 ttt180 -57.52 -42.34 82.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.573 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -61.94 -39.12 90.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.52 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.2 -38.73 87.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.637 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.48 -41.59 92.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.579 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.592 HD11 ' OD1' ' A' ' 81' ' ' ASP . 68.2 mt -86.44 -5.82 59.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 58.21 43.96 19.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.448 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.555 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 125' ' ' HEB . . . . . 0.692 HMD2 HD11 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 m -120.54 149.78 41.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.608 ' CD1' ' CD2' ' A' ' 55' ' ' PHE . 41.7 tp -54.49 -38.25 66.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.324 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -58.33 -42.73 87.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -64.62 -39.7 94.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -65.34 -54.19 32.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.1 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.594 HD12 HG22 ' A' ' 14' ' ' VAL . 68.3 mt -69.67 -37.32 76.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.809 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.34 12.14 79.21 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.19 115.87 0.7 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.77 -40.46 95.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.58 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.18 -34.55 78.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.451 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -31.24 72.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.74 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.594 HG22 HD12 ' A' ' 8' ' ' LEU . 70.9 t -59.73 -46.31 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.716 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -64.24 -41.59 96.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.13 -39.17 93.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.979 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.67 -42.41 95.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.681 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.1 t -67.5 -38.15 80.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.98 -45.14 87.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.195 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -63.42 -40.45 97.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.44 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.567 ' O ' HG23 ' A' ' 25' ' ' VAL . 67.1 t80 -64.12 -42.79 96.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.771 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -59.44 -41.01 88.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.95 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 26' ' ' LEU . . . -56.59 -37.64 76.96 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -82.04 -33.01 30.18 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 21' ' ' PHE . 55.0 t -60.87 -47.57 92.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.526 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.058 HD13 ' N ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -78.87 -15.42 58.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.861 0.362 . . . . 0.0 110.475 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 1.058 ' N ' HD13 ' A' ' 26' ' ' LEU . . . -64.02 -37.58 87.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.347 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -88.15 111.34 21.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.519 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.6 -25.26 63.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -54.73 -42.74 71.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.711 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.9 m -82.91 -27.16 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.948 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -57.11 -29.64 63.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -51.32 -40.79 59.81 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.849 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -71.52 -26.23 62.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.271 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -95.34 8.43 43.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.739 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.0 t -58.11 -40.39 76.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.476 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -85.53 6.19 28.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.621 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.6 m -119.17 138.62 52.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.458 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.439 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 49.5 p30 -77.97 159.45 28.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.67 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.4 mtm -60.72 -35.94 77.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.159 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.36 -57.49 12.57 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.141 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -61.2 -35.88 78.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.611 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.602 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 59.1 tt0 -55.18 -42.76 73.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.315 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -59.3 -35.78 74.41 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.922 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -58.43 -41.49 85.15 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.669 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.402 ' HB3' HE22 ' A' ' 47' ' ' GLN . 56.6 t-80 -62.63 -47.22 84.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.683 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.602 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 1.4 mp0 -61.22 -39.03 88.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -61.02 -49.46 77.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 110.402 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -67.64 -36.8 81.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.644 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.407 ' CE1' HBB3 ' A' ' 125' ' ' HEB . 65.9 t80 -58.24 -48.86 79.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.109 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.2 ttm -63.07 -42.41 99.65 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.912 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.0 m -60.95 -43.81 98.17 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -64.9 -39.37 93.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.774 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.38 -33.16 72.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.764 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.608 ' CD2' ' CD1' ' A' ' 4' ' ' LEU . 5.7 m-85 -75.76 1.73 14.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.612 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.57 6.76 59.49 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.87 61.59 0.34 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.589 ' O ' ' N ' ' A' ' 60' ' ' ARG . 52.9 p -64.63 -27.31 68.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.72 0.295 . . . . 0.0 110.464 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' THR . 89.2 m-20 33.66 -87.8 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.589 ' N ' ' O ' ' A' ' 58' ' ' THR . 60.9 ttm-85 -168.93 -42.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.666 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.483 ' O ' ' O ' ' A' ' 60' ' ' ARG . 7.9 m-85 56.02 155.92 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.327 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -42.74 142.64 1.98 Allowed 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.435 2.09 . . . . 0.0 112.127 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.16 1.23 76.36 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -70.1 143.18 52.48 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.4 p -52.83 112.47 0.85 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.608 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 mmt -61.23 -37.2 82.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.627 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 71' ' ' GLN . 77.6 mtt85 -59.61 -38.21 80.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.94 -35.79 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.739 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.14 85.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.586 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -99.17 -12.43 20.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 67' ' ' ARG . 32.4 tt0 -59.02 -39.41 81.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -57.89 -39.75 78.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.675 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.829 HD11 HMD2 ' A' ' 125' ' ' HEB . 74.6 mt -63.28 -38.82 92.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.747 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.97 -41.24 91.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.96 -35.61 80.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -92.33 -61.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.081 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.496 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.09 149.88 29.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.942 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.13 112.93 3.8 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.2 tp -99.17 131.08 45.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.456 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.528 ' OG1' HG12 ' A' ' 82' ' ' VAL . 27.8 p -124.61 165.57 17.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.76 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.746 ' OD1' HD21 ' A' ' 122' ' ' LEU . 98.9 m-20 -56.1 -34.42 66.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.739 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.528 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.6 p -46.88 -41.24 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.615 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.481 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 75.0 m80 -60.88 -44.64 96.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.888 0.375 . . . . 0.0 110.361 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -61.28 -43.99 97.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.506 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.89 -37.08 78.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.768 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.74 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.99 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -62.72 -30.69 49.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.492 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.67 87.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.39 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.28 -35.55 80.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.475 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -56.98 -39.01 73.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.819 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.7 tp -63.87 -40.03 95.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.2 t -61.31 -45.06 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.873 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.6 mt -63.59 -36.29 83.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.773 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 48.3 m -59.46 -42.09 91.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.196 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.503 HD12 HG23 ' A' ' 105' ' ' ILE . 71.9 mt -61.17 -36.5 79.99 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.685 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -60.35 -38.19 83.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.276 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.25 -31.99 73.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.465 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.446 ' HB2' HG23 ' A' ' 100' ' ' VAL . 55.0 mt -82.25 -0.09 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.715 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 47.7 t30 61.38 50.81 4.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.597 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' A' ' 98' ' ' LEU . 47.1 t -100.32 139.0 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.461 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.4 t -54.02 140.75 30.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.695 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.481 ' HA ' HD12 ' A' ' 105' ' ' ILE . 61.1 tp60 -59.03 -36.45 75.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.046 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -55.22 -42.26 73.13 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.776 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.5 -37.34 82.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.514 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.503 HG23 HD12 ' A' ' 95' ' ' LEU . 78.1 mt -61.71 -41.09 89.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.747 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -59.2 -40.13 84.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.96 -35.01 79.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.55 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.406 ' O ' HG22 ' A' ' 112' ' ' VAL . 74.3 t -62.67 -39.56 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.762 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 113' ' ' GLY . 65.6 t -60.11 -42.91 91.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 51.0 m -61.98 -43.19 99.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.094 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.06 -50.77 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.978 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 108' ' ' VAL . 17.9 m -79.04 -23.77 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.598 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -82.81 14.65 35.89 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.6 m -58.59 142.32 49.61 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.317 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 71.1 t -68.09 -41.44 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.083 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -58.98 -47.15 86.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.177 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -66.72 -45.07 79.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.437 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 59.1 ttt85 -58.71 -42.28 88.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.68 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -61.53 -37.1 82.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.756 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.648 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 90.3 m-20 -60.79 -38.35 85.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.817 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.3 t -62.29 -45.22 99.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.643 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.746 HD21 ' OD1' ' A' ' 81' ' ' ASP . 96.5 mt -66.84 -30.97 71.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.979 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.648 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 26.4 m120 60.27 45.41 11.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.025 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.549 179.616 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 125' ' ' HEB . . . . . 0.829 HMD2 HD11 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.9 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.822 0.344 . . . . 0.81 110.527 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -48.56 -52.79 21.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.73 110.603 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.49 -35.19 50.63 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.933 -0.867 . . . . 0.64 110.933 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -74.32 -43.69 55.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 2.42 110.573 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.5 t -60.38 -26.05 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.69 110.59 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.3 tp -69.69 -43.49 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 1.62 110.277 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.96 -38.37 70.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.76 110.569 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -77.88 88.44 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.69 110.55 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -71.18 -1.35 12.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 2.55 110.595 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -73.41 -54.42 8.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 2.02 110.608 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.6 m -72.62 -23.2 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.53 110.556 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -60.52 -29.09 68.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.47 110.565 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 36' ' ' VAL . 56.1 mtp180 -51.93 -29.63 21.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 3.12 110.645 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.473 ' CE2' ' HB1' ' A' ' 77' ' ' ALA . 76.6 m-85 -82.28 -35.28 28.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.9 110.634 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -79.7 25.61 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.62 110.723 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 33' ' ' ARG . 89.9 t -79.07 -40.17 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 1.42 110.464 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -74.43 -40.07 62.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.16 110.566 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.4 m -79.92 145.3 32.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.79 110.577 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.2 p30 -77.97 168.51 19.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.74 110.539 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.6 mtt -69.4 -24.01 63.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 1.9 110.602 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.21 -59.01 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.65 110.536 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -67.44 -23.6 65.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 2.39 110.581 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.523 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.7 tt0 -56.71 -58.3 8.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.54 110.552 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -46.52 -45.62 18.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 1.73 110.59 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -49.98 -33.32 17.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 1.43 110.572 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -66.2 -51.89 53.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.4 110.564 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 4.1 mp0 -59.35 -23.51 62.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.68 110.506 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -76.14 -58.0 3.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 2.05 110.629 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -63.67 -26.13 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.45 110.563 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -76.12 -54.54 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.75 110.55 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.8 ttt -58.24 -21.14 47.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 1.23 110.615 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 54' ' ' ALA . 22.3 m -77.98 -56.92 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.57 110.578 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.451 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 53.5 t80 -49.88 -17.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.66 110.554 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 52' ' ' THR . . . -64.43 -43.8 93.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.53 110.601 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -77.55 14.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 1.38 110.586 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.928 -0.869 . . . . 0.63 110.928 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.4 mmt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.789 0.328 . . . . 0.81 110.557 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' GLN . 87.7 mtt180 -62.8 -58.89 5.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 1.66 110.617 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.33 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.52 110.572 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.47 -47.78 69.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.47 110.595 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -78.16 -20.95 50.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.39 110.626 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 67' ' ' ARG . 54.9 tt0 -61.95 -41.5 98.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 1.54 110.606 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -52.94 -23.96 8.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.65 110.588 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.3 mt -76.98 -59.02 2.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.5 110.605 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.6 t -50.85 -17.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.49 110.65 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -78.11 -52.24 9.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 2.03 110.618 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -89.85 -60.28 1.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.293 -0.412 . . . . 0.94 110.628 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.473 ' HB1' ' CE2' ' A' ' 34' ' ' PHE . . . -82.98 138.82 33.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.61 110.667 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -81.2 64.85 4.09 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.91 -0.876 . . . . 0.53 110.91 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.72 149.28 31.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 0.73 110.447 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.521 ' OG1' ' ND1' ' A' ' 83' ' ' HIS . 77.2 p -144.38 -171.98 3.7 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.209 -0.45 . . . . 0.97 110.482 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 83' ' ' HIS . 1.7 m-20 -78.0 -54.54 6.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 1.24 110.693 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.7 p -44.99 -17.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.92 110.663 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.521 ' ND1' ' OG1' ' A' ' 80' ' ' THR . 31.1 m170 -78.05 -41.13 36.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.72 110.574 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' ASP . 36.7 t80 -66.83 -37.68 84.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.64 110.574 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.97 -27.93 67.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.92 110.566 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.17 -64.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.49 110.584 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.5 tt -58.55 -33.09 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.41 110.592 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.77 94.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.38 110.549 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -64.35 -50.99 65.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 2.09 110.539 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -44.7 -43.07 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.4 110.744 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.6 tp -57.46 -46.4 83.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.4 110.336 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.41 -44.08 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.42 110.776 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.94 -20.89 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.57 110.75 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 m -71.9 -46.29 58.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.358 -0.383 . . . . 0.53 110.599 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.7 mt -68.69 -22.91 64.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.6 110.569 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -73.23 -25.47 60.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 2.18 110.463 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -76.22 -31.51 58.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.88 110.582 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.3 mt -77.96 3.63 14.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.91 110.514 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.6 t30 61.32 56.16 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 1.17 111.024 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 81.1 t -109.46 132.15 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.361 -0.381 . . . . 0.77 110.296 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 t -45.58 160.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.93 110.66 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -77.1 -45.59 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 1.18 110.711 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -44.93 -40.91 6.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 1.05 110.709 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 20.6 mt -73.04 -37.83 66.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.96 110.611 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.96 -21.96 21.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.6 110.438 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -69.5 -43.7 72.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.72 110.479 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.38 -38.03 88.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 2.21 110.536 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.61 -46.74 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.48 110.515 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 113' ' ' GLY . 88.0 t -54.99 -37.91 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.52 110.548 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.9 m -59.03 -53.73 55.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.66 110.618 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.2 mt -47.88 -59.01 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.56 110.598 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.7 m -73.54 -12.06 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.61 110.624 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -78.93 11.07 29.84 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.907 -0.877 . . . . 0.9 110.907 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.2 m -60.32 138.4 57.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.62 110.566 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.0 t -76.12 -30.9 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.8 110.546 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -65.55 -61.0 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 1.74 110.567 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -46.79 -40.68 14.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.42 110.535 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -68.24 -43.87 76.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 2.01 110.526 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -62.4 -27.74 69.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.69 110.575 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -68.28 -38.57 81.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.53 110.609 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.41 -49.99 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.72 110.585 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.3 mt -72.54 -14.13 61.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 1.05 110.503 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 54.19 95.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.9 110.591 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.967 -1.016 . . . . 4.41 110.434 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 25' ' ' VAL . 61.6 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.751 0.31 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -57.92 -43.23 86.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.23 -44.52 94.91 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.499 ' NZ ' ' CD ' ' A' ' 97' ' ' GLU . 0.1 OUTLIER -65.07 -39.89 93.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.913 0.387 . . . . 0.0 110.623 179.764 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.625 HG11 HE21 ' A' ' 47' ' ' GLN . 73.8 t -63.49 -44.8 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.245 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.731 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -70.7 -30.22 66.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.591 -179.708 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.71 -35.69 73.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.69 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -87.16 113.16 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.367 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.73 -20.98 59.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.001 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -57.13 -41.14 78.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.227 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 m -82.11 -28.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.656 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -56.94 -29.82 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.964 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 36' ' ' VAL . 79.2 mtp180 -53.11 -39.28 63.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.498 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -71.94 -30.63 65.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -87.05 8.27 24.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.32 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 33' ' ' ARG . 53.4 t -57.13 -40.8 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.363 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -87.2 5.39 38.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.53 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.5 m -120.99 140.28 52.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.562 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 39' ' ' ASP . 53.0 p30 -79.97 163.24 24.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.785 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -34.33 74.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.8 -57.91 10.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.653 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -62.45 -34.4 76.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.605 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.49 ' O ' ' OE1' ' A' ' 47' ' ' GLN . 7.4 tt0 -55.33 -42.96 74.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -61.86 -37.72 85.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 0.0 110.801 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -59.88 -43.22 94.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.932 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -64.07 -42.24 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.823 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.625 HE21 HG11 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -59.23 -37.74 78.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.717 -179.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.78 -46.83 88.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.827 0.346 . . . . 0.0 110.486 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -66.52 -38.79 87.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -60.46 -50.41 73.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.7 ttt -64.9 -38.58 91.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.4 m -59.03 -43.38 91.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -60.97 -40.36 93.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.595 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.731 ' O ' HG21 ' A' ' 111' ' ' ILE . . . -61.8 -36.08 80.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.717 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -77.23 -4.16 43.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.654 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.726 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.85 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.726 0.298 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -57.21 -40.67 77.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.661 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.44 -38.56 81.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.782 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.03 86.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.98 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -93.2 -9.51 39.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.981 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -57.78 -38.28 75.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.787 0.327 . . . . 0.0 110.621 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -57.17 -39.81 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.697 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.474 ' O ' ' O ' ' A' ' 77' ' ' ALA . 75.2 mt -62.51 -39.97 95.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.509 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.4 t -67.04 -42.37 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -64.09 -35.63 81.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.178 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -88.65 -62.28 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.092 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.75 146.89 35.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.802 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.53 113.4 3.81 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 tp -99.35 129.51 45.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.596 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.492 ' OG1' HG12 ' A' ' 82' ' ' VAL . 74.6 p -125.23 168.04 14.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.807 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.727 ' OD1' HD11 ' A' ' 122' ' ' LEU . 94.1 m-20 -55.49 -37.7 68.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.705 -179.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.492 HG12 ' OG1' ' A' ' 80' ' ' THR . 3.4 p -54.58 -39.24 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.594 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.445 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 50.9 m80 -60.25 -44.12 95.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.388 . . . . 0.0 110.451 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.41 ' CD1' HG21 ' A' ' 121' ' ' VAL . 65.5 t80 -59.9 -44.88 94.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.358 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -64.58 -33.42 75.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.6 -60.09 3.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.401 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.2 tt -63.51 -27.83 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.545 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.54 -42.61 95.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.624 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.75 -34.69 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.631 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -55.52 -39.4 70.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.422 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.9 tp -64.64 -39.91 94.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.526 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.659 HG13 HG21 ' A' ' 105' ' ' ILE . 71.6 t -64.64 -45.24 95.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.678 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.0 mt -64.79 -34.99 79.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.8 m -57.96 -43.22 86.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.623 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.603 HD12 HG23 ' A' ' 105' ' ' ILE . 77.1 mt -65.44 -36.06 82.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.538 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.57 -38.09 83.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.696 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.499 ' CD ' ' NZ ' ' A' ' 24' ' ' LYS . 96.6 mt-10 -64.64 -30.7 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.0 mt -81.47 3.27 25.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.581 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 62.24 49.58 4.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.551 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.3 t -105.16 138.59 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.8 t -56.15 140.38 44.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.696 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.616 ' HA ' HD12 ' A' ' 105' ' ' ILE . 68.1 tp60 -58.92 -35.97 73.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.114 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -54.82 -42.7 72.22 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.678 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.5 -36.55 83.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.311 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.659 HG21 HG13 ' A' ' 92' ' ' VAL . 79.6 mt -60.89 -40.51 85.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.608 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -58.15 -39.27 78.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -60.58 -39.23 87.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.1 t -66.68 -39.48 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.619 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.8 t -60.58 -40.79 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.74 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.4 m -59.81 -39.53 85.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.954 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.731 HG21 ' O ' ' A' ' 54' ' ' ALA . 87.7 mt -57.34 -50.4 76.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.915 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 114' ' ' SER . 29.4 m -77.14 -28.15 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 0.0 110.554 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.4 69.91 0.04 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 112' ' ' VAL . 48.7 m -117.45 139.09 51.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.851 0.358 . . . . 0.0 110.453 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.476 HG12 HD21 ' A' ' 119' ' ' ASN . 77.2 t -69.45 -41.49 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.183 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.81 -44.65 90.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.246 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -65.43 -46.17 80.99 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.49 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.588 ' NH2' ' OD2' ' A' ' 81' ' ' ASP . 79.6 ttt-85 -59.09 -41.85 89.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.663 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.476 HD21 HG12 ' A' ' 115' ' ' VAL . 85.3 m-20 -60.49 -38.43 84.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -60.86 -36.75 79.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.594 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.41 HG21 ' CD1' ' A' ' 84' ' ' PHE . 94.3 t -60.53 -42.87 93.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.75 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.727 HD11 ' OD1' ' A' ' 81' ' ' ASP . 79.0 mt -90.51 -0.36 57.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.72 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 58.5 43.28 19.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.494 179.766 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.9 t80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.811 0.339 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -56.73 -41.08 76.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.668 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.27 -43.07 93.75 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.486 ' NZ ' ' OE2' ' A' ' 97' ' ' GLU . 3.9 mptp? -62.37 -37.47 85.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.711 0.291 . . . . 0.0 110.522 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.81 -40.66 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.679 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.603 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -62.7 -38.78 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.314 -179.77 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.02 94.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.362 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.479 ' O ' HG22 ' A' ' 31' ' ' VAL . 53.2 t0 -87.77 97.37 10.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.632 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -74.31 -24.9 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.785 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -52.53 -39.79 61.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.788 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 28' ' ' ASP . 16.3 m -78.78 -31.16 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 110.62 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -56.71 -30.13 63.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.666 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.676 ' O ' HG13 ' A' ' 36' ' ' VAL . 92.2 mtt180 -53.31 -36.74 61.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.573 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -77.8 -18.35 56.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -97.74 13.08 31.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.037 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 33' ' ' ARG . 30.3 m -63.91 -35.72 74.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.721 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -89.08 4.63 47.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.741 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.0 m -124.81 141.83 51.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.598 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 54.5 p30 -81.57 163.18 22.8 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.519 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.4 mtt -62.0 -34.94 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.85 -58.85 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.677 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -62.8 -33.87 76.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.444 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.593 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.4 tt0 -55.44 -40.19 71.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.535 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -59.03 -36.19 74.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.724 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -59.09 -40.53 85.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -60.57 -45.66 93.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.597 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.593 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 1.7 mp0 -61.19 -37.11 81.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.001 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -60.82 -53.03 62.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.363 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -66.26 -39.24 89.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.532 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -59.6 -47.78 84.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.671 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.7 tpt -62.45 -40.82 97.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.663 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.0 m -62.64 -42.05 99.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.641 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -61.02 -36.22 78.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.572 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.93 -30.9 64.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.551 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -90.64 5.91 46.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.667 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.695 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 32.3 mmt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.81 0.338 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' GLN . 98.5 mtt180 -59.75 -40.37 87.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.764 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.65 84.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.53 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.61 -33.66 76.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.46 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -98.11 -14.3 20.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.748 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.509 ' O ' ' OE1' ' A' ' 75' ' ' GLU . 63.5 tt0 -58.63 -40.04 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.825 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -56.21 -39.54 72.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.642 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 77' ' ' ALA . 87.7 mt -63.18 -36.38 83.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.18 -49.48 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.891 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' A' ' 71' ' ' GLN . 15.9 mp0 -68.77 -36.75 78.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.915 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -78.82 -61.16 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.635 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.501 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -111.69 161.88 15.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.758 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.45 115.08 4.54 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.41 HD21 HG12 ' A' ' 121' ' ' VAL . 37.6 tp -98.57 131.59 44.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.603 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.585 ' OG1' ' CE1' ' A' ' 83' ' ' HIS . 33.3 p -122.85 161.52 23.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.735 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -59.35 -37.3 77.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.979 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 2.3 p -55.95 -36.83 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.585 ' CE1' ' OG1' ' A' ' 80' ' ' THR . 38.7 m80 -57.29 -44.61 84.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.838 0.351 . . . . 0.0 110.716 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -61.47 -47.27 86.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.404 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -63.9 -33.48 75.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.1 -62.87 1.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -61.94 -30.87 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.46 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.74 90.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.03 -37.8 86.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -58.72 -37.63 76.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.661 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.5 tp -60.6 -39.94 89.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.509 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.74 -43.27 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.695 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.73 -36.21 82.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.703 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.5 m -58.77 -42.01 87.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.559 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.507 HD12 HG23 ' A' ' 105' ' ' ILE . 77.3 mt -63.85 -35.6 81.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.615 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.594 ' NE2' ' CD1' ' A' ' 105' ' ' ILE . 99.5 mm-40 -59.64 -37.99 80.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.583 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.486 ' OE2' ' NZ ' ' A' ' 24' ' ' LYS . 96.9 mt-10 -64.78 -32.8 74.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.597 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 81.9 mt -77.29 -3.9 42.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.621 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 61.54 49.98 4.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.561 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.4 t -99.4 139.6 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.5 t -55.18 139.93 40.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.658 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.475 ' HA ' HD12 ' A' ' 105' ' ' ILE . 63.1 tp60 -58.89 -35.35 72.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.41 -43.83 75.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.631 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.26 -37.67 80.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.355 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.594 ' CD1' ' NE2' ' A' ' 96' ' ' GLN . 84.3 mt -61.75 -38.92 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.621 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -58.31 -39.93 80.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.428 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.74 -38.28 87.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.511 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.6 t -64.1 -39.69 86.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.598 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 113' ' ' GLY . 79.0 t -60.54 -41.05 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.483 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.7 m -61.07 -43.34 99.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.63 -52.28 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.845 0.355 . . . . 0.0 111.025 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.52 ' C ' ' H ' ' A' ' 114' ' ' SER . 20.1 m -77.57 -22.34 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.423 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -63.46 5.54 0.7 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.52 ' H ' ' C ' ' A' ' 112' ' ' VAL . 50.9 m -57.28 126.07 25.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 110.465 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 71.3 t -69.14 -38.73 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.791 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -56.12 -44.49 79.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.708 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -66.06 -43.47 87.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -57.41 -43.52 83.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.535 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -64.01 -37.58 87.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.711 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.5 m-20 -59.4 -39.14 82.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.41 HG12 HD21 ' A' ' 79' ' ' LEU . 71.9 t -62.8 -42.26 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.605 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.463 HD13 HH21 ' A' ' 124' ' ' ARG . 22.1 mt -86.61 -7.66 58.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.579 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 56.7 m-20 59.92 45.16 12.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.699 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.463 HH21 HD13 ' A' ' 122' ' ' LEU . 80.1 mtm180 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.923 -1.036 . . . . 0.0 110.574 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.8 t80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.955 0.407 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -59.81 -43.12 94.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.726 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.26 -42.09 97.12 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -61.3 -42.06 98.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.367 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.28 -40.81 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.537 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 tp -58.75 -36.57 74.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.389 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.8 88.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.419 ' O ' HG22 ' A' ' 31' ' ' VAL . 59.8 t0 -87.15 102.66 14.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.927 0.394 . . . . 0.0 110.659 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -73.13 -25.5 60.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -53.98 -41.63 68.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.701 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 28' ' ' ASP . 16.4 m -79.67 -29.12 13.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.837 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -57.77 -31.1 66.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -54.22 -40.09 67.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.876 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -69.52 -33.85 73.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.074 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.486 ' O ' ' O ' ' A' ' 38' ' ' THR . 90.6 m-85 -80.75 3.46 22.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.3 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.1 t -56.9 -43.92 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.286 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -60.07 -33.65 72.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.467 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.486 ' O ' ' O ' ' A' ' 35' ' ' PHE . 33.0 m -96.93 142.61 28.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.671 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 48.5 p30 -71.2 157.36 38.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.431 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.1 mtp -60.76 -35.02 75.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.242 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.25 -58.7 7.23 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.954 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.44 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -61.07 -34.63 75.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.385 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.586 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.3 tt0 -53.68 -39.14 64.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.975 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -57.64 -38.26 74.73 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.52 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.42 -39.17 89.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -59.87 -47.49 85.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.874 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 1.2 mp0 -60.68 -39.3 87.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.526 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -62.33 -47.15 85.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 110.327 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -64.91 -38.56 91.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.569 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -58.26 -45.36 87.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.733 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.3 ttt -61.9 -40.42 95.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.7 m -59.35 -40.43 86.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.901 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.2 -38.22 82.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.705 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.89 -32.07 71.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.009 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -88.31 10.22 20.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.949 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.806 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 mmt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.824 0.345 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -57.46 -37.55 73.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.677 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.2 79.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.689 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.61 87.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.699 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -94.06 -16.12 24.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.739 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -58.05 -39.01 77.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.534 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -59.2 -38.94 81.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.694 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 77' ' ' ALA . 98.0 mt -60.14 -38.97 84.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.711 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.02 -42.73 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.804 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.64 -36.25 83.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.826 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -90.3 -60.89 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.018 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . -110.16 148.54 31.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.968 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.69 105.95 3.22 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.6 tp -102.61 134.03 46.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.558 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.5 ' OG1' HG12 ' A' ' 82' ' ' VAL . 71.4 p -120.42 163.38 17.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.78 ' OD1' HD21 ' A' ' 122' ' ' LEU . 96.6 m-20 -57.67 -36.62 72.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.982 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.5 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.9 p -52.99 -37.73 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.826 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.41 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 76.5 m80 -57.79 -41.83 82.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.481 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -58.71 -44.58 90.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.437 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -62.75 -35.73 80.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.823 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.73 -58.76 5.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.337 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.8 tt -62.39 -30.06 48.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.676 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.56 -39.76 94.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.441 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.6 -36.56 81.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.533 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -58.29 -38.26 76.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.91 -39.46 89.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.512 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.621 HG13 HG21 ' A' ' 105' ' ' ILE . 72.9 t -63.54 -42.96 97.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.688 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.1 mt -63.6 -36.35 83.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.773 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.6 m -58.91 -42.07 88.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.737 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.723 HD12 HG23 ' A' ' 105' ' ' ILE . 77.0 mt -62.89 -35.51 80.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.597 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.47 ' OE1' HD11 ' A' ' 105' ' ' ILE . 14.8 mm100 -59.7 -36.19 76.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.493 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.8 -31.23 72.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.54 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.422 ' HB2' HG23 ' A' ' 100' ' ' VAL . 56.9 mt -82.16 1.35 36.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.665 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 61.35 50.31 4.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.924 0.393 . . . . 0.0 110.543 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.422 HG23 ' HB2' ' A' ' 98' ' ' LEU . 46.5 t -103.01 138.86 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.449 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.2 t -55.07 140.67 37.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.752 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.64 ' NE2' HD12 ' A' ' 105' ' ' ILE . 0.8 OUTLIER -59.0 -36.75 75.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.119 -179.702 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -55.77 -43.11 76.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.825 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.83 -36.97 83.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.31 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.723 HG23 HD12 ' A' ' 95' ' ' LEU . 81.8 mt -60.7 -40.0 83.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.582 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.16 -39.78 79.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.549 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.93 -37.07 83.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.339 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.69 -39.42 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.631 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 113' ' ' GLY . 70.1 t -59.61 -41.52 85.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.708 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.6 m -60.48 -41.39 94.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.5 mt -59.37 -50.87 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.923 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.6 m -80.6 -22.55 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.646 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -79.57 78.28 1.78 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.5 m -120.53 141.04 50.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 110.372 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.655 HG12 ' ND2' ' A' ' 119' ' ' ASN . 69.4 t -67.39 -42.16 87.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.008 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -59.57 -44.41 93.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -64.8 -46.96 79.83 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.461 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.588 ' NH2' ' OD2' ' A' ' 81' ' ' ASP . 78.0 ttt-85 -60.48 -43.46 96.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.391 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.655 ' ND2' HG12 ' A' ' 115' ' ' VAL . 86.0 m-20 -62.86 -36.07 82.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.75 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.488 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 91.4 m-20 -58.48 -38.9 78.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.4 t -61.72 -43.65 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.373 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.78 HD21 ' OD1' ' A' ' 81' ' ' ASP . 98.7 mt -65.27 -29.57 70.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.806 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.488 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 78.5 m-20 60.79 44.14 11.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.331 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.544 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.9 t80 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.898 0.38 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -57.59 -41.47 81.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.752 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.0 -42.29 86.62 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -62.06 -39.87 93.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.404 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.27 -40.45 86.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.604 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.3 tp -57.83 -37.83 74.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.633 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.84 93.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.723 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.4 ' O ' HG22 ' A' ' 31' ' ' VAL . 60.2 t0 -90.43 101.8 14.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.964 0.411 . . . . 0.0 110.769 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.68 -27.4 61.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.102 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -54.65 -41.16 69.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.651 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 28' ' ' ASP . 27.2 m -78.05 -31.39 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.904 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.19 -33.2 69.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 36' ' ' VAL . 77.1 mtp85 -55.88 -39.62 71.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.088 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -69.0 -31.7 70.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.347 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.506 ' O ' ' O ' ' A' ' 38' ' ' THR . 89.0 m-85 -85.42 6.98 24.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.368 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 33' ' ' ARG . 53.8 t -57.47 -43.12 82.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.435 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -60.22 -33.58 72.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.506 ' O ' ' O ' ' A' ' 35' ' ' PHE . 49.0 m -99.75 141.89 31.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.858 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.442 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.3 p30 -76.87 167.48 21.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.561 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.401 ' HA ' HE21 ' A' ' 43' ' ' GLN . 65.2 mtt -61.32 -34.69 75.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.285 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.48 -58.98 6.15 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.044 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -62.58 -31.93 72.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.657 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.579 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.3 tt0 -55.41 -40.96 72.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.709 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -60.08 -38.48 83.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.653 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -59.65 -38.43 81.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.655 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -59.41 -45.59 91.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.795 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.579 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -61.33 -39.22 89.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.694 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -61.17 -49.08 78.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 110.117 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -68.14 -38.07 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.586 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -60.4 -49.08 79.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.052 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 57.4 ttm -62.83 -40.3 97.01 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.701 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.6 m -60.7 -42.39 97.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -62.0 -41.88 98.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.527 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.6 72.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.702 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -75.77 10.11 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.681 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.679 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.2 mmt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.868 0.366 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.536 ' NH1' ' O ' ' A' ' 124' ' ' ARG . 95.2 mtt180 -60.46 -38.24 83.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.963 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.0 77.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.858 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.42 -36.16 82.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.76 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -100.02 -11.87 20.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.11 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' ARG . 50.1 tt0 -58.03 -40.69 81.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 110.708 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.56 -38.6 85.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.665 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' A' ' 77' ' ' ALA . 67.7 mt -60.72 -39.88 90.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.779 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.73 -41.58 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.23 -35.86 81.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -91.31 -61.38 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.944 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.31 148.55 31.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.867 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.36 108.78 3.46 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.8 tp -102.46 133.17 47.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 0.0 110.67 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.529 ' OG1' HG12 ' A' ' 82' ' ' VAL . 69.8 p -121.29 165.42 15.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.702 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.708 ' OD1' HD21 ' A' ' 122' ' ' LEU . 96.0 m-20 -56.89 -37.0 70.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.016 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.529 HG12 ' OG1' ' A' ' 80' ' ' THR . 3.5 p -52.76 -38.13 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.908 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.411 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 78.4 m80 -58.38 -41.08 84.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.451 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -58.46 -42.86 88.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.515 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.95 -36.75 77.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.76 -59.6 3.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.078 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.4 tt -62.49 -29.99 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.62 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.72 -39.13 93.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.487 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -61.53 -37.58 84.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.468 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.7 -37.56 76.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.558 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.6 tp -60.23 -40.39 90.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.436 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.6 t -63.87 -42.5 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.803 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 75.5 mt -62.24 -36.9 83.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.722 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.9 m -59.71 -41.88 91.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.564 HD12 HG23 ' A' ' 105' ' ' ILE . 56.7 mt -63.19 -35.18 79.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.613 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.461 ' NE2' ' CD1' ' A' ' 105' ' ' ILE . 99.6 mm-40 -59.16 -37.35 77.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.894 0.378 . . . . 0.0 110.48 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.35 -31.62 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.553 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.442 ' HB2' HG23 ' A' ' 100' ' ' VAL . 59.4 mt -81.6 -0.81 44.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.664 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 61.15 50.93 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.57 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.442 HG23 ' HB2' ' A' ' 98' ' ' LEU . 46.1 t -101.78 138.68 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.421 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.6 t -57.29 142.48 43.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.721 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.619 ' NE2' HD12 ' A' ' 105' ' ' ILE . 2.3 tp-100 -59.59 -37.04 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.187 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -55.93 -42.93 76.87 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.951 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.31 -36.46 83.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.445 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.619 HD12 ' NE2' ' A' ' 102' ' ' GLN . 83.0 mt -60.14 -40.42 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.61 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.16 -40.26 80.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.47 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.09 -36.03 83.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.371 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.34 -39.78 86.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.652 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.584 ' O ' ' N ' ' A' ' 113' ' ' GLY . 75.4 t -60.64 -40.45 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.81 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.5 m -58.91 -41.36 87.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 89.6 mt -58.7 -50.59 78.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.869 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.6 m -84.36 -19.43 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.648 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -76.57 12.57 10.14 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.4 m -59.06 143.7 47.69 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.37 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 69.1 t -67.18 -40.95 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -58.48 -43.47 88.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.19 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -63.29 -45.34 91.88 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.517 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -59.28 -43.16 92.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.408 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -61.95 -36.49 81.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.745 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.489 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.8 m-20 -59.51 -37.61 78.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.815 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.86 -43.9 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.346 . . . . 0.0 110.422 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.708 HD21 ' OD1' ' A' ' 81' ' ' ASP . 88.5 mt -73.35 -18.99 61.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.489 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 86.4 m-20 59.94 44.25 13.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.934 0.397 . . . . 0.0 110.576 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.536 ' O ' ' NH1' ' A' ' 67' ' ' ARG . 61.5 mtp85 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.555 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.3 t80 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.871 0.367 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -58.86 -43.01 90.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.896 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.46 -44.13 95.5 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -62.19 -40.86 97.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.832 0.348 . . . . 0.0 110.411 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.0 t -63.2 -41.37 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.731 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.8 tp -58.29 -37.27 74.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.5 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.22 -35.37 78.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -83.59 99.88 10.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.951 0.405 . . . . 0.0 110.755 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.21 -27.25 61.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.052 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 -54.99 -41.5 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.567 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.7 m -78.88 -30.46 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -57.7 -32.06 67.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.572 ' O ' HG23 ' A' ' 36' ' ' VAL . 74.9 mtp85 -54.4 -39.67 67.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.192 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -67.64 -31.42 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.291 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -84.19 7.32 19.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.199 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 33' ' ' ARG . 53.2 t -58.52 -39.73 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.483 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -84.57 4.7 30.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.6 m -120.92 141.75 50.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.379 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 23.2 p-10 -77.06 163.19 26.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.019 0.437 . . . . 0.0 111.015 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 98.7 mmm -61.46 -34.9 76.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.319 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.32 -56.64 14.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.464 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.434 ' CG ' ' OD1' ' A' ' 39' ' ' ASP . 62.1 mmtt -61.43 -34.56 75.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.982 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.592 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.2 tt0 -55.39 -44.08 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.791 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -61.69 -37.07 82.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.625 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.61 -40.25 91.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -59.69 -44.62 93.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.619 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.592 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -60.56 -36.7 79.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.73 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -59.57 -48.61 80.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.185 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -66.93 -39.64 87.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.45 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.01 -46.05 90.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.889 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.7 tpt -61.63 -39.74 92.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.7 m -60.21 -40.11 88.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.781 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -59.85 -37.8 80.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.713 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.75 ' O ' HG21 ' A' ' 111' ' ' ILE . . . -60.02 -31.1 69.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -92.39 13.32 19.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.791 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.809 0.337 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.3 -37.05 81.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.485 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.55 -34.9 79.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.5 -37.91 87.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.842 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -93.61 -15.84 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.755 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -58.67 -39.01 79.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.752 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -58.47 -39.85 81.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.749 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.484 ' O ' ' O ' ' A' ' 77' ' ' ALA . 73.9 mt -62.67 -38.6 90.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.737 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.3 -42.28 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.68 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -64.17 -36.11 82.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -89.28 -61.37 1.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.484 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.28 148.99 30.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.27 101.98 2.66 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.569 -1.013 . . . . 0.0 110.569 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.6 tp -103.19 133.07 48.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 110.44 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.577 ' OG1' HG12 ' A' ' 82' ' ' VAL . 28.0 p -122.09 167.7 12.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.666 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.783 ' OD1' HD21 ' A' ' 122' ' ' LEU . 95.7 m-20 -53.63 -34.34 58.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.544 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.577 HG12 ' OG1' ' A' ' 80' ' ' THR . 3.7 p -49.07 -38.25 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.677 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.422 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 77.5 m80 -58.24 -43.92 88.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.883 0.373 . . . . 0.0 110.291 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -60.2 -44.43 95.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.386 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.49 -36.85 79.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.782 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.18 -59.46 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -62.97 -32.56 56.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.569 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.95 -41.7 86.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.433 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.06 -36.67 82.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.454 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -57.44 -38.5 74.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.518 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.27 -40.03 92.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.22 -44.11 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.746 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.8 mt -63.41 -34.91 78.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.721 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.8 m -57.42 -41.59 80.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.681 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.668 HD12 HG23 ' A' ' 105' ' ' ILE . 69.5 mt -62.93 -36.63 84.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.559 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.45 -36.92 79.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.446 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.98 -32.48 73.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.287 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.485 ' HB2' HG23 ' A' ' 100' ' ' VAL . 84.4 mt -79.48 -2.57 42.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.532 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.2 t30 61.04 49.68 5.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.163 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.485 HG23 ' HB2' ' A' ' 98' ' ' LEU . 47.3 t -100.63 139.7 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.457 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.8 t -52.11 139.62 22.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.608 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.491 ' HA ' HD12 ' A' ' 105' ' ' ILE . 67.8 tp60 -59.08 -35.97 74.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.092 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -54.94 -42.73 72.66 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.763 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.82 -37.52 84.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 110.243 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.668 HG23 HD12 ' A' ' 95' ' ' LEU . 79.7 mt -62.19 -38.61 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.615 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -57.97 -39.87 79.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.571 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.67 -37.84 85.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.28 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.12 -39.13 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.547 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.09 -40.76 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.83 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 48.5 m -59.95 -41.33 91.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.052 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.75 HG21 ' O ' ' A' ' 54' ' ' ALA . 93.1 mt -57.44 -49.31 80.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.779 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.3 m -80.83 -17.75 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.992 0.425 . . . . 0.0 110.397 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 114' ' ' SER . . . -54.33 -25.47 33.62 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' GLY . 72.2 m -38.62 112.72 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.922 0.391 . . . . 0.0 110.634 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.89 -35.8 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.049 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -50.75 -41.79 56.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -62.49 -43.49 98.68 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.211 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.63 HH21 ' CB ' ' A' ' 81' ' ' ASP . 74.2 ttt180 -59.0 -40.49 85.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.496 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -59.3 -36.73 76.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.836 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.495 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.8 m-20 -59.34 -38.74 81.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.689 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.42 -44.03 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 0.0 110.457 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.783 HD21 ' OD1' ' A' ' 81' ' ' ASP . 95.8 mt -66.22 -30.81 71.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.882 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.495 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 81.4 m-20 60.22 44.36 12.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.622 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.528 179.916 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.5 t80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.88 0.371 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -60.92 -41.8 96.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.811 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.1 -45.88 92.07 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -61.82 -39.24 91.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.385 . . . . 0.0 110.453 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.8 -41.03 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.464 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.5 tp -59.23 -36.35 75.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.377 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.86 -36.69 79.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -84.45 103.94 14.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.964 0.411 . . . . 0.0 110.777 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -72.84 -27.87 62.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -53.58 -41.77 66.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.505 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 31' ' ' VAL . 21.9 m -77.88 -31.5 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.608 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -57.19 -30.87 64.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.524 ' O ' HG23 ' A' ' 36' ' ' VAL . 72.1 mtp85 -53.73 -39.98 65.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.927 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -70.25 -29.74 66.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.199 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 38' ' ' THR . 96.2 m-85 -88.47 9.3 24.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.304 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 33' ' ' ARG . 55.2 t -56.77 -39.65 65.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.513 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -84.41 3.94 33.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.488 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' PHE . 53.8 m -123.73 139.74 53.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 53.2 p30 -78.79 165.79 23.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 110.578 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.4 mtt -61.05 -35.81 77.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.403 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.1 -55.86 27.6 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.033 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -62.16 -35.5 78.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.608 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.4 tt0 -57.11 -44.98 83.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.841 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -60.86 -35.66 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.341 . . . . 0.0 110.729 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -59.5 -41.31 89.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.796 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -61.34 -44.44 97.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.9 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.608 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.5 OUTLIER -59.66 -38.24 80.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.696 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -60.48 -46.94 88.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.953 0.406 . . . . 0.0 110.092 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -66.41 -40.23 89.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.385 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -61.09 -46.04 92.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.562 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.8 ttt -60.77 -40.65 93.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.778 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.2 m -62.01 -39.65 92.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -60.37 -38.02 82.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.07 -31.25 68.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.921 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -89.69 11.32 20.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.729 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.905 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.3 mmt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.878 0.37 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 71' ' ' GLN . 77.6 mtt85 -57.79 -36.99 72.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.9 85.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.68 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.78 85.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.609 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -93.33 -14.73 26.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' ARG . 41.5 tt0 -57.8 -37.83 74.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -55.8 -40.13 72.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.496 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.488 ' O ' ' O ' ' A' ' 77' ' ' ALA . 93.1 mt -63.46 -38.36 90.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.406 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.411 HG21 HD22 ' A' ' 123' ' ' ASN . 73.1 t -64.25 -40.29 88.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.957 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -62.48 -36.11 81.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.963 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -92.77 -61.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.981 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.44 146.06 36.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.822 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -83.91 113.93 3.81 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 79' ' ' LEU . 41.4 tp -103.68 131.27 51.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.752 0.31 . . . . 0.0 110.675 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.5 ' OG1' HG12 ' A' ' 82' ' ' VAL . 51.0 p -121.39 166.5 14.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.722 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.747 ' OD1' HD21 ' A' ' 122' ' ' LEU . 95.2 m-20 -56.77 -36.62 70.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.877 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.5 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.6 p -51.62 -40.14 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.543 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.461 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 77.3 m80 -59.14 -41.33 88.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.959 0.409 . . . . 0.0 110.264 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.05 -44.58 87.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.542 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -63.28 -33.99 76.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.941 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.0 -61.3 2.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.42 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.2 tt -62.82 -31.5 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.551 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.38 -41.8 84.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.553 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.65 -36.94 82.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.535 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.42 -37.77 76.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.622 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.2 tp -61.28 -39.36 90.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.441 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.507 HG13 HG21 ' A' ' 105' ' ' ILE . 71.3 t -62.94 -43.61 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.8 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.49 -36.63 84.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.732 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.2 m -59.11 -41.95 89.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.852 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.76 HD12 HG23 ' A' ' 105' ' ' ILE . 77.8 mt -63.03 -36.02 82.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -59.99 -36.73 77.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.495 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.59 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.499 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.417 ' HB2' HG23 ' A' ' 100' ' ' VAL . 57.2 mt -81.03 0.87 33.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.7 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 47.6 t30 61.92 49.93 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.562 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 98' ' ' LEU . 47.2 t -103.14 138.37 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.0 t -54.31 140.78 32.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.588 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.491 ' HA ' HD12 ' A' ' 105' ' ' ILE . 58.8 tp60 -58.46 -36.87 74.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.1 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -55.84 -42.75 76.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.815 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.21 -37.53 83.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.398 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.76 HG23 HD12 ' A' ' 95' ' ' LEU . 80.4 mt -61.73 -39.8 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.646 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -58.31 -38.75 77.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.801 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.16 -36.99 85.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.578 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.78 -41.24 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.507 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 113' ' ' GLY . 75.9 t -62.23 -40.42 87.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.678 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.5 m -58.21 -40.44 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.5 mt -57.03 -50.78 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.612 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.08 -21.97 8.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.481 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -73.28 64.59 1.68 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.0 m -116.37 140.72 49.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.837 0.351 . . . . 0.0 110.405 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.685 HG12 ' ND2' ' A' ' 119' ' ' ASN . 69.5 t -66.87 -41.23 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.056 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.64 -43.89 89.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.144 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -63.8 -47.39 81.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.375 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.589 ' HE ' ' CG ' ' A' ' 81' ' ' ASP . 73.9 ttt180 -61.25 -42.09 98.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.603 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.685 ' ND2' HG12 ' A' ' 115' ' ' VAL . 86.9 m-20 -60.52 -36.1 77.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.496 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 91.1 m-20 -59.13 -39.02 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.68 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.9 t -63.29 -44.07 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.482 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.747 HD21 ' OD1' ' A' ' 81' ' ' ASP . 89.7 mt -65.41 -31.67 72.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.496 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 83.3 m-20 59.28 43.56 16.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.173 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.531 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.1 t80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.866 0.365 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -58.09 -41.37 83.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.83 -45.84 90.93 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -62.82 -37.35 86.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.523 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.9 t -62.53 -42.61 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.536 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.6 tp -59.98 -37.52 79.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.501 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.81 84.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -85.21 103.11 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 110.76 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.17 -27.04 61.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 -53.97 -41.92 68.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.456 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.4 m -79.97 -29.92 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.78 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -57.69 -31.0 65.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.022 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.695 ' O ' HG13 ' A' ' 36' ' ' VAL . 84.6 mtm180 -54.18 -39.27 66.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.898 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -70.5 -29.6 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.321 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -88.02 10.48 18.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.586 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 33' ' ' ARG . 32.9 m -63.01 -34.1 64.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.497 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -86.61 4.15 41.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.4 m -124.49 140.95 52.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.477 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 42' ' ' LYS . 48.2 p30 -75.21 160.43 30.4 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.465 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mtp -61.44 -36.3 79.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.55 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.85 -57.06 12.15 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.086 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.464 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 78.9 tttt -60.81 -34.36 74.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.915 0.388 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.589 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.3 tt0 -54.77 -41.24 70.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.894 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -59.24 -36.43 75.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.94 0.4 . . . . 0.0 110.604 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -59.42 -40.31 86.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.764 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -60.73 -46.39 90.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -61.29 -37.54 83.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.686 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -60.07 -48.62 80.94 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.289 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -66.74 -39.1 87.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.413 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.92 -48.47 81.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.831 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.2 ttt -63.11 -40.46 97.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.786 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.5 m -61.92 -39.67 92.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.641 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -59.46 -36.55 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.807 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.65 ' O ' HG21 ' A' ' 111' ' ' ILE . . . -56.93 -29.89 63.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.717 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -91.68 7.25 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.761 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.733 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.591 0.234 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.568 ' NH2' ' OD1' ' A' ' 120' ' ' ASP . 78.8 mtt85 -59.59 -38.95 82.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.701 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.68 83.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.689 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.56 83.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.715 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -95.43 -17.1 21.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' ARG . 1.7 tt0 -58.75 -38.92 79.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.788 0.328 . . . . 0.0 110.637 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.57 -38.95 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.613 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.48 ' O ' ' O ' ' A' ' 77' ' ' ALA . 76.1 mt -60.47 -40.61 91.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.69 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.74 -42.63 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.83 -35.73 82.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -89.75 -60.96 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.944 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.48 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -108.16 146.32 32.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.773 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.0 120.81 5.31 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.6 tp -104.31 132.44 50.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.589 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.436 ' OG1' ' ND1' ' A' ' 83' ' ' HIS . 62.3 p -120.0 162.09 19.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.609 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -58.81 -38.72 79.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.831 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.415 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.9 p -57.26 -37.69 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.98 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.436 ' ND1' ' OG1' ' A' ' 80' ' ' THR . 38.8 m80 -58.2 -44.95 88.37 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.638 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -61.14 -45.56 94.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.994 0.426 . . . . 0.0 110.275 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -64.52 -34.05 77.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.98 -60.18 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.452 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.0 tt -62.91 -26.51 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.645 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.69 -40.7 95.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.69 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.14 -36.01 82.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.638 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -56.86 -38.65 73.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.413 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.6 tp -62.51 -39.64 94.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.429 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.99 -43.28 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.755 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.31 -36.19 81.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.755 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.7 m -58.05 -42.31 85.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.603 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.67 HD12 HG23 ' A' ' 105' ' ' ILE . 73.7 mt -64.74 -35.24 80.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.654 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.611 ' NE2' ' CD1' ' A' ' 105' ' ' ILE . 99.5 mm-40 -59.66 -37.89 79.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.494 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.31 -31.77 73.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.513 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.463 ' HB2' HG23 ' A' ' 100' ' ' VAL . 57.5 mt -80.26 -2.03 43.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.63 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 60.56 50.25 5.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.52 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.463 HG23 ' HB2' ' A' ' 98' ' ' LEU . 47.0 t -101.57 139.28 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.472 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.5 t -54.03 140.51 31.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.643 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.635 ' NE2' HD12 ' A' ' 105' ' ' ILE . 1.8 tp-100 -59.21 -36.33 75.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.091 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -55.28 -42.8 74.05 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.862 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.05 -37.14 83.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.356 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.67 HG23 HD12 ' A' ' 95' ' ' LEU . 84.0 mt -61.14 -39.93 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.708 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.27 -39.85 80.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.509 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.44 -37.4 85.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.559 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.14 -39.38 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.669 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.579 ' O ' ' N ' ' A' ' 113' ' ' GLY . 73.8 t -59.68 -40.85 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.685 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.6 m -59.04 -41.19 87.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.65 HG21 ' O ' ' A' ' 54' ' ' ALA . 83.4 mt -59.25 -51.44 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.811 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.7 m -82.93 -19.69 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.557 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -74.06 13.35 4.52 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.0 m -58.33 135.14 57.11 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.364 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 73.3 t -69.48 -40.93 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -57.56 -43.89 84.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.147 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -63.8 -45.6 88.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.486 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -58.7 -42.79 89.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.43 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 123' ' ' ASN . 86.7 m-20 -61.25 -39.7 91.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.515 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.568 ' OD1' ' NH2' ' A' ' 67' ' ' ARG . 89.5 m-20 -63.81 -43.33 96.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.769 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.99 -44.75 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.656 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 67.5 mt -81.67 -12.55 58.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.612 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.496 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 84.0 m-20 58.09 43.47 20.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.232 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 123' ' ' ASN . 82.1 mtm180 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.623 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.404 ' O ' HG23 ' A' ' 25' ' ' VAL . 74.6 t80 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.837 0.351 . . . . 0.0 110.798 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -58.11 -43.15 86.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.43 -44.68 96.47 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -62.11 -38.83 90.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.937 0.398 . . . . 0.0 110.514 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 21' ' ' PHE . 72.3 t -60.73 -40.26 84.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.698 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -59.48 -35.26 73.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.433 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.67 81.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.82 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -84.78 103.92 14.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.973 0.416 . . . . 0.0 110.757 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -72.79 -28.66 62.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.289 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -54.05 -42.03 68.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.47 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.5 m -80.07 -31.1 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.742 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -56.93 -31.57 65.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.988 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -54.76 -40.15 69.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.919 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -70.92 -29.32 65.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.204 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.486 ' O ' ' O ' ' A' ' 38' ' ' THR . 89.7 m-85 -88.1 5.47 40.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.51 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 51.3 t -57.95 -44.52 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.372 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -61.16 -34.48 75.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.486 ' O ' ' O ' ' A' ' 35' ' ' PHE . 58.9 m -94.91 141.7 28.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.774 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 50.2 p30 -72.86 162.44 29.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.555 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.3 mtt -61.04 -34.9 75.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.356 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.02 -57.03 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.971 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -62.11 -33.81 75.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.48 ' O ' ' OE1' ' A' ' 47' ' ' GLN . 7.3 tt0 -54.79 -39.88 68.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -59.45 -39.68 84.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.579 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -61.92 -40.7 96.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.739 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -61.13 -45.41 94.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.614 ' N ' ' OE1' ' A' ' 47' ' ' GLN . 2.4 mp0 -61.02 -37.66 83.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.473 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -60.71 -47.8 84.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.374 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.24 -40.68 90.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.451 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -61.32 -45.99 92.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.684 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.0 tpt -61.21 -39.6 90.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.733 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.3 m -61.77 -40.26 94.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.763 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -59.75 -36.48 76.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.688 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.79 -29.67 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.671 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -89.12 7.68 33.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.857 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.59 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.657 0.265 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -59.46 -37.48 78.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.676 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.42 84.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.62 -37.52 87.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.657 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -88.87 -18.66 27.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.549 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -58.78 -37.27 75.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -56.95 -40.57 76.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.745 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.58 ' O ' ' N ' ' A' ' 77' ' ' ALA . 75.0 mt -63.73 -37.29 86.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.565 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.54 -37.97 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.0 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -59.94 -37.82 80.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.966 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -111.89 -61.16 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.374 . . . . 0.0 110.92 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . -74.73 147.15 41.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -101.11 86.78 0.63 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.8 tp -100.27 130.55 46.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 110.517 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.497 ' OG1' HG12 ' A' ' 82' ' ' VAL . 39.9 p -124.08 169.3 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.543 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.777 ' OD1' HD21 ' A' ' 122' ' ' LEU . 95.5 m-20 -53.56 -36.33 61.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.657 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.497 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.4 p -53.43 -39.64 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.934 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.455 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 74.4 m80 -58.33 -41.69 85.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.497 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -57.66 -43.43 84.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.256 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.82 -35.22 79.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.798 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.75 -61.16 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.281 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.5 tt -62.84 -26.18 40.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.685 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.2 99.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.687 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.01 -36.4 84.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.712 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -58.77 -38.14 77.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.446 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.78 -39.53 91.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.373 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.506 HG13 HG21 ' A' ' 105' ' ' ILE . 71.3 t -63.76 -44.08 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.614 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.3 mt -63.42 -36.11 82.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.674 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.6 m -58.67 -42.08 87.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.17 -35.61 81.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.593 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -59.47 -36.89 76.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.481 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.66 -31.59 72.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.463 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.462 ' HB2' HG23 ' A' ' 100' ' ' VAL . 59.0 mt -80.91 -0.77 40.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.705 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 61.05 50.38 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.534 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 98' ' ' LEU . 44.0 t -102.41 139.55 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.457 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.4 t -54.36 141.5 30.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.815 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 105' ' ' ILE . 65.5 tp60 -59.3 -35.12 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.137 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.12 -41.9 68.88 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.742 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.42 HD12 ' CG1' ' A' ' 100' ' ' VAL . 78.4 mt -65.56 -37.24 86.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.237 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.506 HG21 HG13 ' A' ' 92' ' ' VAL . 82.4 mt -61.26 -38.93 80.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.683 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -58.02 -40.66 81.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.492 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.55 -36.93 85.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.436 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.16 -39.19 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.673 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.573 ' O ' ' N ' ' A' ' 113' ' ' GLY . 73.2 t -59.69 -41.26 84.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.1 m -59.86 -41.54 91.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.8 mt -59.91 -51.48 72.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.811 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 20.7 m -82.21 -20.59 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.637 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -76.41 9.97 18.77 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.7 m -59.64 135.54 57.71 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.395 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 72.9 t -70.07 -40.51 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.135 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -57.56 -43.08 84.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -62.38 -44.99 95.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.375 . . . . 0.0 110.537 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.436 HH21 ' HB3' ' A' ' 81' ' ' ASP . 62.6 ttt180 -58.66 -41.07 85.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.481 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -60.51 -36.25 77.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.933 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.486 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.3 m-20 -58.48 -38.42 77.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.837 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.16 -43.55 96.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.977 0.418 . . . . 0.0 110.511 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.777 HD21 ' OD1' ' A' ' 81' ' ' ASP . 90.4 mt -65.96 -26.64 67.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.801 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.486 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 78.7 m-20 61.49 44.71 9.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.55 -179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.397 179.871 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.5 t80 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.903 0.382 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -59.5 -41.62 90.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.61 -41.59 82.35 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -61.13 -38.65 87.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.429 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.51 -42.55 95.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.614 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.38 -37.58 81.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.52 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.66 91.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.991 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -87.59 106.0 17.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.034 0.445 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -72.83 -27.32 61.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.123 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.5 mtm-85 -55.04 -42.1 72.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.764 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.8 m -78.56 -30.93 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -56.95 -33.52 67.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.694 ' O ' HG13 ' A' ' 36' ' ' VAL . 83.6 mtp180 -56.31 -38.24 71.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.143 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -69.66 -31.09 68.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.45 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -85.01 9.82 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.381 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 33' ' ' ARG . 33.9 m -64.53 -32.55 58.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.46 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -84.26 0.63 48.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.388 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.0 m -126.49 141.27 51.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.321 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 23.9 p-10 -73.13 159.27 33.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.57 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 68.8 mtm -59.89 -34.34 73.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.127 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.49 -58.13 9.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.061 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -62.43 -33.76 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 110.622 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.591 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.3 tt0 -54.2 -41.79 69.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.82 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -59.57 -37.0 77.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.692 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -59.11 -39.24 81.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.845 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -59.94 -45.06 93.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.591 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.4 OUTLIER -59.04 -38.84 80.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.41 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -62.73 -48.06 80.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.387 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.43 -41.05 89.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.797 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -61.86 -51.15 69.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.76 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.3 ttp -62.42 -37.81 87.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.294 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -62.17 -37.92 87.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.639 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -57.52 -37.61 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.966 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.05 -33.08 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.871 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -76.28 -5.4 46.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.579 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.672 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.1 mmt . . . . . 0 N--CA 1.461 0.085 0 CA-C-O 120.726 0.298 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.507 ' NH2' ' OD1' ' A' ' 120' ' ' ASP . 77.9 mtt85 -55.74 -39.51 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.791 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.2 90.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.37 80.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -92.01 -17.98 24.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.785 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -59.92 -38.98 83.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.682 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -57.84 -39.44 77.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.489 ' O ' ' O ' ' A' ' 77' ' ' ALA . 68.9 mt -62.57 -39.71 94.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.613 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.0 t -65.37 -41.91 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.89 -36.41 83.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.856 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -89.08 -61.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.489 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.4 146.61 35.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.705 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.86 126.65 8.07 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.4 HD21 ' CG1' ' A' ' 121' ' ' VAL . 36.2 tp -104.59 132.71 50.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 0.0 110.679 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.56 ' HG1' ' CE1' ' A' ' 83' ' ' HIS . 72.6 p -120.86 161.43 21.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.535 ' CG ' ' NH2' ' A' ' 118' ' ' ARG . 82.9 m-20 -60.53 -36.89 79.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.003 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.492 HG12 ' OG1' ' A' ' 80' ' ' THR . 3.7 p -52.77 -36.96 24.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.0 -178.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.56 ' CE1' ' HG1' ' A' ' 80' ' ' THR . 78.7 m80 -57.47 -45.06 85.24 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.516 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -62.79 -45.04 94.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.28 -37.52 80.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.963 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.13 -59.01 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.133 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.2 tt -62.88 -32.69 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.768 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.85 -43.93 74.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.626 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.63 -37.33 85.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.713 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.09 -38.05 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.735 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.73 -39.96 93.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.677 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.88 -43.35 97.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.581 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.2 mt -64.16 -36.59 84.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.756 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.2 m -58.85 -42.57 89.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.798 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.67 -36.14 82.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.529 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.5 -37.05 79.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.494 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.86 -31.26 72.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.499 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.447 ' HB2' HG23 ' A' ' 100' ' ' VAL . 57.9 mt -81.3 0.35 37.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.696 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 61.89 51.06 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.574 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 98' ' ' LEU . 46.7 t -100.9 138.5 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.432 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.7 t -54.76 140.03 37.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.678 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.485 ' HA ' HD12 ' A' ' 105' ' ' ILE . 68.0 tp60 -59.13 -36.69 75.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.206 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.31 -42.92 74.35 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.683 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.31 -37.23 83.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 110.312 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 102' ' ' GLN . 80.4 mt -62.5 -39.1 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.753 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -57.9 -41.51 82.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.23 -37.87 86.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.4 . . . . 0.0 110.364 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.77 -39.38 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.684 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.567 ' O ' ' N ' ' A' ' 113' ' ' GLY . 79.5 t -60.1 -41.62 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.789 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.6 m -60.36 -41.27 93.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.768 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.4 mt -59.31 -52.0 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.919 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.8 m -81.64 -23.2 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.627 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -87.28 12.62 62.08 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.9 m -58.93 143.78 46.85 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.424 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.439 HG12 ' ND2' ' A' ' 119' ' ' ASN . 71.3 t -67.05 -41.8 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.8 -44.42 93.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.184 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -65.27 -46.93 78.49 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.677 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.535 ' NH2' ' CG ' ' A' ' 81' ' ' ASP . 75.5 ttt-85 -58.95 -43.57 91.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.457 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.439 ' ND2' HG12 ' A' ' 115' ' ' VAL . 86.7 m-20 -63.37 -37.17 86.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.674 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.507 ' OD1' ' NH2' ' A' ' 67' ' ' ARG . 89.8 m-20 -59.47 -39.27 83.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.705 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.4 ' CG1' HD21 ' A' ' 79' ' ' LEU . 76.2 t -62.37 -42.65 96.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.359 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.401 HD11 ' OD1' ' A' ' 81' ' ' ASP . 78.7 mt -81.25 -11.7 59.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.579 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 59.14 40.39 21.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.292 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.484 179.92 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.0 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.801 0.334 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -57.97 -42.08 84.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.764 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.88 -45.1 94.01 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -61.99 -40.59 96.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.87 0.366 . . . . 0.0 110.213 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.02 -41.17 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.4 tp -58.57 -36.64 74.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.388 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.0 76.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.934 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -83.87 103.22 12.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.997 0.427 . . . . 0.0 110.793 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -72.14 -28.5 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.177 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -53.77 -41.84 67.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.827 -178.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.3 m -79.2 -30.55 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -57.25 -31.67 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.555 ' O ' HG23 ' A' ' 36' ' ' VAL . 72.9 mtp85 -53.77 -40.43 66.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.082 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -69.27 -32.18 71.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.204 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -86.01 9.33 17.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.407 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 33' ' ' ARG . 53.5 t -57.31 -38.47 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.435 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -85.47 6.13 28.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.43 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.4 m -120.48 141.64 50.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.433 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 50.6 p30 -76.6 162.67 27.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.744 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.7 mtt -61.76 -35.66 78.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.314 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.49 -58.51 7.34 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.152 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -60.24 -34.22 73.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.904 0.383 . . . . 0.0 110.515 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.584 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.1 tt0 -54.48 -41.92 70.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.022 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -61.28 -36.55 80.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.575 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -61.16 -40.88 95.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -60.79 -46.56 90.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.806 0.336 . . . . 0.0 110.807 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.584 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.5 OUTLIER -60.94 -37.82 83.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.794 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -60.25 -46.84 88.41 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.327 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -66.47 -38.52 87.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.478 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.35 -47.56 85.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.052 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.5 ttt -64.7 -41.26 96.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.176 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.8 m -60.13 -43.92 95.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.97 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -63.22 -36.75 84.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.797 ' O ' HG21 ' A' ' 111' ' ' ILE . . . -59.56 -32.69 70.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -87.38 10.34 17.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.442 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.504 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.788 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 mmt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.917 0.389 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.605 HH12 ' C ' ' A' ' 124' ' ' ARG . 86.2 mtt180 -56.53 -38.62 72.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.929 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.47 83.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.711 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.3 -35.34 80.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -97.19 -12.29 23.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.099 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' ARG . 50.8 tt0 -58.46 -37.97 76.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 110.766 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -57.91 -39.81 78.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.492 ' O ' ' O ' ' A' ' 77' ' ' ALA . 59.2 mt -60.99 -40.51 93.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.881 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.0 t -61.96 -40.0 85.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.058 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.3 -36.9 81.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.823 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -95.24 -61.81 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.348 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.76 143.76 40.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 111.199 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.85 119.22 5.19 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.419 ' CD2' HG13 ' A' ' 121' ' ' VAL . 40.1 tp -106.27 130.89 54.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.773 0.32 . . . . 0.0 110.773 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.526 ' OG1' HG12 ' A' ' 82' ' ' VAL . 30.8 p -125.14 164.67 19.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.663 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.849 ' OD2' HD11 ' A' ' 122' ' ' LEU . 95.5 m-20 -57.54 -34.91 69.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.196 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.526 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.8 p -51.13 -38.46 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.824 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.416 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 68.1 m80 -57.91 -41.41 82.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.9 0.381 . . . . 0.0 110.364 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.95 -43.87 91.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.574 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -59.67 -36.69 76.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.187 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.7 -59.01 4.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.494 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.2 tt -62.84 -32.72 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.787 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.21 -40.99 90.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.97 0.415 . . . . 0.0 110.359 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.37 -36.38 82.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.548 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -57.05 -39.05 74.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.532 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.33 -39.63 91.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.321 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.511 HG13 HG21 ' A' ' 105' ' ' ILE . 77.0 t -64.28 -42.84 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.629 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.4 mt -64.34 -36.21 83.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.1 m -58.48 -42.03 86.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.8 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.3 mt -62.9 -36.04 82.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.583 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -60.72 -36.37 78.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.57 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.93 -32.64 73.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.508 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.459 ' HB2' HG23 ' A' ' 100' ' ' VAL . 57.5 mt -83.72 -0.34 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.739 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.4 t30 60.39 51.23 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.617 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.572 ' CG1' HD12 ' A' ' 104' ' ' LEU . 43.5 t -100.16 140.4 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.352 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.9 t -52.7 141.87 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.697 ' NE2' HD12 ' A' ' 105' ' ' ILE . 2.3 tp-100 -59.12 -35.68 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.141 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -53.62 -41.35 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.729 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.572 HD12 ' CG1' ' A' ' 100' ' ' VAL . 77.5 mt -65.84 -37.41 86.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.904 0.383 . . . . 0.0 110.328 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.697 HD12 ' NE2' ' A' ' 102' ' ' GLN . 87.1 mt -60.68 -39.65 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.693 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -59.11 -40.16 84.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.627 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.88 -38.28 90.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.441 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 72.2 t -64.93 -40.15 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.678 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 77.8 t -61.55 -41.29 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.89 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 52.5 m -59.49 -40.74 87.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.394 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.797 HG21 ' O ' ' A' ' 54' ' ' ALA . 85.1 mt -58.86 -49.68 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.834 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.534 ' C ' ' H ' ' A' ' 114' ' ' SER . 14.0 m -80.83 -20.14 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.563 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.99 7.04 0.3 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.534 ' H ' ' C ' ' A' ' 112' ' ' VAL . 49.0 m -59.57 131.36 50.71 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.434 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.437 HG12 HD21 ' A' ' 119' ' ' ASN . 73.6 t -70.32 -40.94 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -58.06 -42.57 85.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.428 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -63.1 -46.28 88.1 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.477 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -59.96 -41.64 92.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.402 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.437 HD21 HG12 ' A' ' 115' ' ' VAL . 85.1 m-20 -59.79 -36.41 76.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.704 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.505 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 91.0 m-20 -58.44 -37.13 74.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.521 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.419 HG13 ' CD2' ' A' ' 79' ' ' LEU . 58.0 t -60.94 -43.16 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.353 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.849 HD11 ' OD2' ' A' ' 81' ' ' ASP . 77.5 mt -77.36 -15.96 59.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.737 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.505 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 88.8 m-20 60.6 48.0 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.894 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.605 ' C ' HH12 ' A' ' 67' ' ' ARG . 16.3 mtp180 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.205 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.501 ' O ' HG23 ' A' ' 25' ' ' VAL . 60.1 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.854 0.359 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -60.81 -42.22 97.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.87 -46.96 91.8 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.527 ' NZ ' ' OD1' ' A' ' 90' ' ' ASN . 65.0 tttm -62.5 -39.77 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 110.5 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 21' ' ' PHE . 75.9 t -62.07 -40.43 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.429 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.3 tp -59.23 -36.49 75.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.525 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.13 91.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.62 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.519 ' O ' HG22 ' A' ' 31' ' ' VAL . 58.1 t0 -92.02 101.6 14.14 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.528 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.86 -21.58 60.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.47 ' CZ ' ' OD1' ' A' ' 28' ' ' ASP . 90.2 mtm-85 -52.4 -40.3 61.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.208 -179.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 28' ' ' ASP . 19.6 m -78.38 -31.02 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.69 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -58.73 -31.52 68.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -54.66 -39.36 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.881 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -68.55 -30.77 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.249 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.494 ' O ' ' O ' ' A' ' 38' ' ' THR . 95.3 m-85 -86.16 5.17 35.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.519 -179.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.6 t -57.58 -46.17 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.42 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -62.58 -34.91 77.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.517 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 35' ' ' PHE . 34.7 m -90.5 140.29 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.508 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.8 p30 -75.64 167.96 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.551 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.37 -34.34 75.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.194 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.66 -59.27 5.7 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.969 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.74 -32.48 73.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 0.0 110.544 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.554 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.2 tt0 -55.47 -44.2 76.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -62.85 -39.25 93.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.83 0.348 . . . . 0.0 110.438 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -61.48 -39.71 91.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.762 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -58.98 -45.24 91.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.568 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.604 ' N ' ' OE1' ' A' ' 47' ' ' GLN . 0.6 OUTLIER -61.31 -38.36 86.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.542 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -61.58 -50.9 70.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.437 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -66.24 -40.02 89.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.669 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -61.6 -49.33 77.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.785 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.7 ttt -64.88 -46.02 83.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.749 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.1 m -62.04 -40.83 97.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.705 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -61.03 -37.37 82.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.729 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.34 -32.12 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -86.25 5.93 32.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.654 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.921 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.797 0.332 . . . . 0.0 110.685 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 71' ' ' GLN . 96.6 mtt180 -57.87 -36.94 73.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.755 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.36 80.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.746 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.77 85.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -95.4 -14.24 23.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 67' ' ' ARG . 48.6 tt0 -56.95 -40.45 76.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.804 0.335 . . . . 0.0 110.485 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -59.78 -38.46 81.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.451 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.551 ' O ' ' N ' ' A' ' 77' ' ' ALA . 88.8 mt -61.06 -43.3 99.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.825 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.9 t -65.81 -44.03 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.01 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.44 -35.09 79.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.645 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -92.04 -60.55 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . -104.82 150.13 25.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.051 0.453 . . . . 0.0 110.902 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.29 114.65 4.44 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -98.78 135.96 39.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.689 0.28 . . . . 0.0 110.326 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.544 ' OG1' ' ND1' ' A' ' 83' ' ' HIS . 43.4 p -115.01 159.26 21.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.574 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -60.74 -37.43 81.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.248 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 p -57.52 -39.2 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.224 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.544 ' ND1' ' OG1' ' A' ' 80' ' ' THR . 40.9 m80 -57.23 -45.03 84.26 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.698 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -61.43 -45.73 93.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.401 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.04 -35.58 80.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.687 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.34 -59.46 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -63.24 -33.06 58.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.656 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.17 -43.46 78.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.967 0.413 . . . . 0.0 110.504 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.02 -37.16 83.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.422 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.527 ' OD1' ' NZ ' ' A' ' 24' ' ' LYS . 87.4 m-20 -57.68 -37.86 74.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.549 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.72 -40.52 92.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.512 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 72.0 t -65.23 -43.56 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.667 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.23 -35.34 80.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.534 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.5 m -57.97 -40.87 81.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.682 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.44 -37.34 83.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.57 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.9 -37.15 81.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.518 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.04 -33.19 75.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.752 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.415 ' HB2' HG23 ' A' ' 100' ' ' VAL . 60.5 mt -84.47 -0.81 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.7 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 49.2 t30 59.61 52.77 5.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.551 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.415 HG23 ' HB2' ' A' ' 98' ' ' LEU . 40.4 t -93.0 137.55 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.32 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.2 t -55.11 142.62 30.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.647 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.424 ' HA ' HD12 ' A' ' 105' ' ' ILE . 57.7 tp60 -57.22 -37.24 71.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.903 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -56.7 -42.86 79.83 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.757 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.5 -38.0 83.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 110.435 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 102' ' ' GLN . 83.6 mt -62.29 -39.36 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.526 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -58.31 -38.68 77.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.645 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.08 -37.78 88.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.416 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.524 ' O ' HG22 ' A' ' 112' ' ' VAL . 75.0 t -65.67 -39.96 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.585 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.591 ' O ' ' N ' ' A' ' 113' ' ' GLY . 75.2 t -61.55 -41.46 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.766 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.0 m -62.32 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.707 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.9 mt -62.23 -52.11 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 108' ' ' VAL . 20.4 m -79.02 -23.62 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.897 0.38 . . . . 0.0 110.344 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -56.5 -26.09 51.26 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.2 m -41.3 118.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.004 0.43 . . . . 0.0 110.507 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.543 HG12 ' ND2' ' A' ' 119' ' ' ASN . 68.9 t -66.99 -33.78 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.023 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -51.53 -44.26 62.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.948 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -65.34 -45.75 82.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.576 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -58.81 -43.7 90.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.514 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.543 ' ND2' HG12 ' A' ' 115' ' ' VAL . 86.3 m-20 -63.79 -37.85 88.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.455 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 93.2 m-20 -59.62 -39.73 85.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.787 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.95 -43.68 99.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.397 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.1 mt -75.08 -16.32 60.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.511 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 76.3 m-20 60.49 44.46 11.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.547 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 65.4 mtp85 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.561 179.845 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.7 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.776 0.322 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -57.41 -41.49 80.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.04 -44.87 92.86 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -62.52 -41.4 98.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.466 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.17 -45.08 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.505 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.93 -35.85 82.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.487 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.58 -35.95 81.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -85.93 108.67 18.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -73.27 -26.33 61.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.006 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -54.78 -41.94 71.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.445 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.9 m -80.73 -30.08 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.779 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -56.45 -30.53 62.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.515 ' O ' HG23 ' A' ' 36' ' ' VAL . 82.3 mtm180 -53.51 -39.67 64.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.693 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -70.9 -30.5 66.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -87.15 9.71 19.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.24 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 33' ' ' ARG . 54.4 t -58.01 -41.83 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.469 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -86.89 5.84 34.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.49 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.7 m -120.47 141.42 50.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.582 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.8 p30 -82.48 163.95 21.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.764 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.402 ' HA ' HE21 ' A' ' 43' ' ' GLN . 65.0 mtt -62.38 -35.3 78.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.177 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.45 -59.19 5.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.77 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -62.34 -33.43 74.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.382 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.468 ' HG2' HE21 ' A' ' 47' ' ' GLN . 7.5 tt0 -53.74 -42.06 67.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.79 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -62.72 -38.1 89.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -59.77 -42.48 93.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.442 ' ND1' ' OE1' ' A' ' 47' ' ' GLN . 56.4 t-80 -65.94 -48.91 69.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.604 ' N ' ' OE1' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -61.53 -39.94 92.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.683 -179.853 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -61.92 -47.58 84.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.446 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -64.31 -39.62 94.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.436 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -62.68 -46.04 90.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.7 ttt -61.17 -38.8 87.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.73 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.4 m -62.71 -38.57 90.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.748 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -57.86 -37.5 74.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.894 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.68 -33.32 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.902 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -77.65 -2.87 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.766 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 179.556 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.638 0.256 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.27 -39.76 83.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.865 0.364 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.08 83.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.651 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.76 -36.86 85.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.749 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -94.45 -13.23 26.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.76 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -59.42 -37.89 79.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.801 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -57.45 -40.83 79.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.594 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' A' ' 77' ' ' ALA . 76.7 mt -64.39 -38.9 92.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.624 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.16 -41.78 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.31 -35.22 79.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -91.5 -61.79 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.497 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.72 148.79 31.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.32 108.34 2.92 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 36.3 tp -100.76 129.05 46.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.624 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.509 ' OG1' HG12 ' A' ' 82' ' ' VAL . 69.0 p -122.85 166.48 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.624 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.791 ' OD2' HD11 ' A' ' 122' ' ' LEU . 94.3 m-20 -55.27 -34.64 64.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.398 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.509 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.4 p -49.58 -40.23 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.763 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.457 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 76.5 m80 -60.51 -42.79 97.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.422 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -59.24 -44.05 92.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.493 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.28 -35.62 81.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.62 -59.97 4.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.478 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.0 tt -62.07 -26.72 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.579 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.34 96.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -64.59 -35.39 80.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.789 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -56.72 -39.72 74.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.52 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.95 -38.19 90.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.621 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.476 HG13 HG21 ' A' ' 105' ' ' ILE . 70.2 t -62.14 -43.2 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.667 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.15 -36.59 82.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.649 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.4 m -59.11 -43.01 91.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.671 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.35 -36.29 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -60.52 -36.84 79.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.372 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.85 -31.22 72.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.439 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.409 ' HB2' HG23 ' A' ' 100' ' ' VAL . 57.1 mt -83.17 2.93 33.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.592 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 61.98 51.48 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.409 HG23 ' HB2' ' A' ' 98' ' ' LEU . 46.3 t -100.72 138.05 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.3 t -59.43 143.76 48.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.68 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.587 ' NE2' HD12 ' A' ' 105' ' ' ILE . 0.8 OUTLIER -58.14 -36.11 72.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.894 -179.798 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -55.49 -42.49 74.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.649 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.2 mt -66.75 -37.61 84.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.418 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.587 HD12 ' NE2' ' A' ' 102' ' ' GLN . 80.4 mt -62.81 -38.48 81.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.661 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -57.9 -39.4 77.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.658 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.63 -36.23 83.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.522 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.3 t -64.81 -39.77 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.628 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 113' ' ' GLY . 78.3 t -60.81 -41.13 87.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.8 m -60.25 -41.41 93.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.933 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.83 -50.59 78.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.77 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.518 ' C ' ' H ' ' A' ' 114' ' ' SER . 18.9 m -81.69 -19.04 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.518 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -67.67 14.02 0.58 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.518 ' H ' ' C ' ' A' ' 112' ' ' VAL . 60.3 m -58.64 128.74 38.69 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.368 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.68 -41.59 80.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -58.35 -42.43 86.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.086 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -63.51 -45.88 88.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.447 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.56 ' HE ' ' CG ' ' A' ' 81' ' ' ASP . 71.7 ttt180 -59.69 -41.27 90.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -60.21 -36.85 78.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.487 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 90.4 m-20 -58.86 -38.0 77.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.1 t -61.64 -42.19 93.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.664 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.791 HD11 ' OD2' ' A' ' 81' ' ' ASP . 64.1 mt -83.33 -10.91 58.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.776 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.487 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 87.4 m-20 58.27 43.8 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.814 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.422 HH11 ' HB3' ' A' ' 122' ' ' LEU . 65.1 mtt85 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.554 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.7 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.852 0.358 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -60.7 -42.81 97.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.981 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.14 -45.91 93.38 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.588 ' HZ3' ' HB2' ' A' ' 93' ' ' LEU . 10.9 tttt -63.23 -42.66 99.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.3 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.51 -39.59 85.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.18 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 tp -59.13 -36.59 75.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.412 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.41 83.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.408 ' O ' HG22 ' A' ' 31' ' ' VAL . 59.5 t0 -86.01 106.72 17.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.832 0.349 . . . . 0.0 110.52 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -75.91 -20.2 58.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -57.2 -40.54 77.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.256 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 28' ' ' ASP . 13.9 m -81.21 -30.67 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.981 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.19 -33.99 68.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.261 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 36' ' ' VAL . 95.5 mtt180 -56.35 -39.99 73.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.784 0.326 . . . . 0.0 110.92 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -69.89 -32.49 70.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.327 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.494 ' O ' ' O ' ' A' ' 38' ' ' THR . 81.7 m-85 -83.18 5.91 21.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.24 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 33' ' ' ARG . 53.0 t -57.21 -43.23 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.401 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.661 ' ND2' HD22 ' A' ' 76' ' ' ASN . 84.3 m-20 -59.6 -33.71 71.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.585 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 35' ' ' PHE . 62.8 m -98.91 141.62 31.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.732 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.438 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.5 p30 -76.76 165.72 24.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.687 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -61.27 -35.42 77.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.201 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.03 -58.52 8.09 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.962 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -61.94 -33.62 74.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.752 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.589 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.2 tt0 -55.0 -41.65 71.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.925 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -60.54 -37.1 80.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.373 . . . . 0.0 110.452 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -60.55 -39.08 86.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.709 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -59.01 -43.4 91.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.743 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -59.61 -38.2 80.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.478 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -61.3 -49.77 75.67 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.317 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -68.35 -41.97 79.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.418 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -63.39 -46.47 86.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.755 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.5 ttt -61.04 -40.83 95.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.72 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.4 m -63.23 -38.03 89.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.657 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -57.75 -37.52 73.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.07 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.84 67.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.97 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -82.19 1.52 35.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.713 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.651 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.773 0.32 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -61.36 -37.03 81.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.553 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.35 -34.19 77.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.748 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.11 88.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.771 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -92.02 -17.57 24.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.766 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -58.99 -37.97 78.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.798 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -58.22 -39.91 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.71 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' A' ' 77' ' ' ALA . 75.5 mt -62.04 -37.85 86.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.505 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.27 -41.85 93.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.773 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.9 -36.15 83.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.661 HD22 ' ND2' ' A' ' 37' ' ' ASN . 81.2 m-20 -89.49 -61.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.78 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.45 146.99 34.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.641 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -84.3 103.09 2.58 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 tp -103.11 131.32 50.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.718 0.294 . . . . 0.0 110.326 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.561 ' OG1' HG12 ' A' ' 82' ' ' VAL . 49.0 p -121.85 168.32 11.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.605 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.731 ' OD2' HD11 ' A' ' 122' ' ' LEU . 94.5 m-20 -54.26 -35.29 62.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.468 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.561 HG12 ' OG1' ' A' ' 80' ' ' THR . 3.2 p -51.11 -38.05 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.69 -179.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.412 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 77.5 m80 -58.39 -44.2 88.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.355 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.423 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 67.4 t80 -60.2 -43.03 96.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.254 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.84 -37.2 81.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.829 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.96 -60.8 2.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.141 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.8 tt -62.69 -26.68 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.921 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' PHE . . . -62.87 -43.85 97.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.839 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.18 -35.79 82.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.591 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.98 -38.63 73.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.522 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.7 tp -63.31 -39.4 94.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.547 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.553 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 75.0 t -64.24 -43.29 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.786 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.588 ' HB2' ' HZ3' ' A' ' 24' ' ' LYS . 82.3 mt -61.14 -36.61 80.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.722 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 50.4 m -60.19 -40.49 90.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.766 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.678 HD12 HG23 ' A' ' 105' ' ' ILE . 78.6 mt -61.63 -36.83 81.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.899 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.704 ' NE2' HD13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -60.14 -35.54 75.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.359 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.66 -32.04 73.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.501 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.441 ' HB2' HG23 ' A' ' 100' ' ' VAL . 59.8 mt -82.67 -0.47 47.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.3 t30 61.07 52.21 4.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.582 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 98' ' ' LEU . 46.5 t -99.68 139.0 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.51 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.4 t -54.44 139.68 36.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.71 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -58.23 -37.34 74.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.228 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -56.93 -43.8 81.85 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.904 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.6 mt -68.55 -39.01 81.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.5 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.704 HD13 ' NE2' ' A' ' 96' ' ' GLN . 94.8 mt -63.63 -37.54 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.02 -39.77 79.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.469 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.77 -35.41 81.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.38 -39.32 84.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.721 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.555 ' O ' ' N ' ' A' ' 113' ' ' GLY . 70.6 t -59.88 -41.6 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.709 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.5 m -60.41 -41.51 94.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.9 mt -59.02 -50.88 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.75 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.9 m -82.2 -22.11 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.529 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -82.29 11.39 50.37 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.9 m -59.28 139.5 56.93 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.401 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 68.9 t -69.12 -42.11 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -59.49 -43.37 93.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.014 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -61.24 -43.3 99.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.91 0.386 . . . . 0.0 110.412 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.553 HH21 ' CB ' ' A' ' 81' ' ' ASP . 78.7 ttt180 -57.71 -39.56 77.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.51 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -58.94 -37.24 76.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.484 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.1 m-20 -59.26 -37.57 77.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.651 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.75 -42.67 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.607 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.731 HD11 ' OD2' ' A' ' 81' ' ' ASP . 79.1 mt -83.16 -10.03 58.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.778 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.484 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 81.3 m-20 58.5 43.96 18.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 122' ' ' LEU . 82.4 mmt-85 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.396 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.1 t80 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.919 0.39 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.564 ' HE2' HD11 ' A' ' 26' ' ' LEU . 66.3 t80 -58.01 -42.26 84.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.974 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.46 -40.84 92.84 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -61.44 -37.19 82.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.819 0.342 . . . . 0.0 110.698 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.7 -41.24 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.564 HD11 ' HE2' ' A' ' 22' ' ' TYR . 73.6 mt -60.72 -34.92 75.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.09 95.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.419 ' OD2' HG13 ' A' ' 31' ' ' VAL . 61.6 t0 -89.88 105.08 17.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.934 0.397 . . . . 0.0 110.795 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -73.06 -28.31 62.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.8 mtm-85 -54.88 -42.27 71.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.767 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.419 HG13 ' OD2' ' A' ' 28' ' ' ASP . 30.0 m -80.11 -29.8 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.718 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -57.41 -34.33 68.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.292 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -52.59 -40.01 62.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.961 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -68.3 -30.45 69.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.172 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.482 ' O ' ' O ' ' A' ' 38' ' ' THR . 97.2 m-85 -94.41 -2.6 51.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.695 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 t -60.57 -47.45 92.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.301 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -63.11 -35.51 80.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.044 0.449 . . . . 0.0 110.095 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.677 HG23 ' NZ ' ' A' ' 42' ' ' LYS . 62.8 m -86.23 141.04 29.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.435 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.496 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 49.7 p30 -68.17 151.65 46.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.993 0.425 . . . . 0.0 110.64 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.4 mtt -61.24 -34.06 74.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.038 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.15 -59.17 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.159 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.677 ' NZ ' HG23 ' A' ' 38' ' ' THR . 6.0 mtmp? -62.43 -33.85 75.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 110.673 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.589 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.3 tt0 -56.3 -42.32 77.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -59.67 -38.39 81.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.98 0.419 . . . . 0.0 110.698 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.99 -38.14 84.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -59.93 -45.12 93.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.157 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -59.86 -39.35 84.9 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.857 -179.754 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -61.54 -48.57 80.4 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.047 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -66.53 -40.14 88.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.406 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -61.34 -46.34 90.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.545 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.3 tpt -61.84 -39.94 93.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.63 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 42.5 m -60.86 -42.59 98.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.62 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -61.78 -41.95 98.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.771 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.87 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -75.04 -0.07 17.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.668 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.649 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 mmt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.669 0.271 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.93 -40.59 96.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 110.486 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.84 -33.87 75.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.23 -37.57 83.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.674 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -94.22 -16.91 23.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.678 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.34 -37.06 76.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.8 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -55.87 -40.86 73.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.757 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.5 ' O ' ' O ' ' A' ' 77' ' ' ALA . 71.5 mt -64.6 -39.63 94.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.585 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.25 -41.08 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.33 -36.54 84.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.982 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -92.18 -61.26 1.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.203 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.5 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.38 148.73 31.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 0.0 110.991 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -83.75 111.09 3.39 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.4 tp -101.13 132.38 46.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.784 0.326 . . . . 0.0 110.602 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.517 ' OG1' HG12 ' A' ' 82' ' ' VAL . 28.2 p -123.11 166.53 15.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.607 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.592 ' OD1' HD11 ' A' ' 122' ' ' LEU . 94.4 m-20 -56.44 -34.53 66.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.699 -179.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.517 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.2 p -50.37 -38.35 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.807 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.432 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 78.2 m80 -57.94 -42.85 85.73 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.352 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.66 -45.15 95.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.503 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -62.23 -37.97 87.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.46 -57.71 6.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.4 tt -62.37 -30.44 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 110.611 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.36 92.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.64 -37.51 84.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.617 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.69 -37.91 77.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.9 tp -60.68 -38.82 86.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.655 HG13 HG21 ' A' ' 105' ' ' ILE . 78.7 t -62.23 -42.78 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.767 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.3 mt -62.09 -37.12 83.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.593 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.7 m -59.77 -41.76 91.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.683 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.713 HD12 HG23 ' A' ' 105' ' ' ILE . 73.4 mt -62.8 -36.37 82.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.01 -37.03 78.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.511 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.82 -31.29 72.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.528 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.404 ' HB2' HG23 ' A' ' 100' ' ' VAL . 59.5 mt -82.31 1.47 36.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.689 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 61.63 50.64 4.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.641 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.404 HG23 ' HB2' ' A' ' 98' ' ' LEU . 47.2 t -102.98 138.26 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.6 t -56.25 142.84 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.612 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.565 ' HA ' HD12 ' A' ' 105' ' ' ILE . 67.9 tp60 -58.27 -37.01 74.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.123 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -55.88 -42.73 76.35 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.697 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.9 -36.88 83.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.443 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.713 HG23 HD12 ' A' ' 95' ' ' LEU . 81.1 mt -60.73 -40.21 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.675 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -58.42 -40.0 81.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.52 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.24 -36.88 83.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.383 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.56 -39.86 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 113' ' ' GLY . 78.9 t -61.07 -40.87 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.671 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.6 m -60.0 -41.2 91.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.5 mt -58.57 -50.79 77.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.687 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.0 m -82.32 -19.75 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.417 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -88.31 64.72 3.5 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.4 m -115.85 144.37 44.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.422 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.67 -41.5 92.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.25 -44.57 92.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.96 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -64.28 -43.2 95.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.366 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.486 ' NH2' ' OD2' ' A' ' 81' ' ' ASP . 78.3 ttt180 -57.52 -42.34 82.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.573 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -61.94 -39.12 90.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.52 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.2 -38.73 87.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.637 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.48 -41.59 92.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.579 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.592 HD11 ' OD1' ' A' ' 81' ' ' ASP . 68.2 mt -86.44 -5.82 59.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 58.21 43.96 19.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.448 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.555 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.567 ' O ' HG23 ' A' ' 25' ' ' VAL . 67.1 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.734 0.302 . . . . 0.0 110.771 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -59.44 -41.01 88.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.95 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 26' ' ' LEU . . . -56.59 -37.64 76.96 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -82.04 -33.01 30.18 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 21' ' ' PHE . 55.0 t -60.87 -47.57 92.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.526 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.058 HD13 ' N ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -78.87 -15.42 58.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.861 0.362 . . . . 0.0 110.475 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 1.058 ' N ' HD13 ' A' ' 26' ' ' LEU . . . -64.02 -37.58 87.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.347 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -88.15 111.34 21.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.519 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.6 -25.26 63.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -54.73 -42.74 71.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.711 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.9 m -82.91 -27.16 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.948 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -57.11 -29.64 63.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -51.32 -40.79 59.81 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.849 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -71.52 -26.23 62.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.271 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -95.34 8.43 43.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.739 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.0 t -58.11 -40.39 76.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.476 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -85.53 6.19 28.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.621 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.6 m -119.17 138.62 52.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.458 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.439 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 49.5 p30 -77.97 159.45 28.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.67 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.4 mtm -60.72 -35.94 77.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.159 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.36 -57.49 12.57 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.141 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -61.2 -35.88 78.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.611 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.602 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.2 tt0 -55.18 -42.76 73.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.315 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -59.3 -35.78 74.41 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.922 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -58.43 -41.49 85.15 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.669 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.402 ' HB3' HE22 ' A' ' 47' ' ' GLN . 56.6 t-80 -62.63 -47.22 84.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.683 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.602 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 1.4 mp0 -61.22 -39.03 88.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -61.02 -49.46 77.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 110.402 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -67.64 -36.8 81.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.644 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -58.24 -48.86 79.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.109 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.2 ttm -63.07 -42.41 99.65 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.912 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.0 m -60.95 -43.81 98.17 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -64.9 -39.37 93.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.774 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.38 -33.16 72.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.764 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -75.76 1.73 14.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.612 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 mmt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.767 0.318 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 71' ' ' GLN . 77.6 mtt85 -59.61 -38.21 80.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.94 -35.79 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.739 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.14 85.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.586 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -99.17 -12.43 20.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 67' ' ' ARG . 32.4 tt0 -59.02 -39.41 81.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -57.89 -39.75 78.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.675 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.496 ' O ' ' O ' ' A' ' 77' ' ' ALA . 74.6 mt -63.28 -38.82 92.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.747 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.648 HG21 HD22 ' A' ' 123' ' ' ASN . 69.0 t -64.97 -41.24 91.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.96 -35.61 80.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -92.33 -61.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.081 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.496 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.09 149.88 29.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.942 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.13 112.93 3.8 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.2 tp -99.17 131.08 45.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.456 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.528 ' OG1' HG12 ' A' ' 82' ' ' VAL . 27.8 p -124.61 165.57 17.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.76 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.746 ' OD1' HD21 ' A' ' 122' ' ' LEU . 98.9 m-20 -56.1 -34.42 66.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.739 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.528 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.6 p -46.88 -41.24 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.615 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.481 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 75.0 m80 -60.88 -44.64 96.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.888 0.375 . . . . 0.0 110.361 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -61.28 -43.99 97.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.506 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.89 -37.08 78.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.768 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.74 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.99 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -62.72 -30.69 49.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.492 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.67 87.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.39 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.28 -35.55 80.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.475 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -56.98 -39.01 73.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.819 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.7 tp -63.87 -40.03 95.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.2 t -61.31 -45.06 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.873 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.6 mt -63.59 -36.29 83.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.773 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 48.3 m -59.46 -42.09 91.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.196 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.503 HD12 HG23 ' A' ' 105' ' ' ILE . 71.9 mt -61.17 -36.5 79.99 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.685 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -60.35 -38.19 83.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.276 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.25 -31.99 73.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.465 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.446 ' HB2' HG23 ' A' ' 100' ' ' VAL . 55.0 mt -82.25 -0.09 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.715 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 47.7 t30 61.38 50.81 4.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.597 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' A' ' 98' ' ' LEU . 47.1 t -100.32 139.0 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.461 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.4 t -54.02 140.75 30.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.695 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.481 ' HA ' HD12 ' A' ' 105' ' ' ILE . 61.1 tp60 -59.03 -36.45 75.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.046 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -55.22 -42.26 73.13 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.776 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.5 -37.34 82.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.514 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.503 HG23 HD12 ' A' ' 95' ' ' LEU . 78.1 mt -61.71 -41.09 89.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.747 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -59.2 -40.13 84.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.96 -35.01 79.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.55 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.406 ' O ' HG22 ' A' ' 112' ' ' VAL . 74.3 t -62.67 -39.56 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.762 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 113' ' ' GLY . 65.6 t -60.11 -42.91 91.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 51.0 m -61.98 -43.19 99.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.094 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.06 -50.77 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.978 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 108' ' ' VAL . 17.9 m -79.04 -23.77 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.598 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -82.81 14.65 35.89 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.6 m -58.59 142.32 49.61 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.317 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.513 HG12 ' ND2' ' A' ' 119' ' ' ASN . 71.1 t -68.09 -41.44 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.083 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -58.98 -47.15 86.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.177 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -66.72 -45.07 79.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.437 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 59.1 ttt85 -58.71 -42.28 88.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.68 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.513 ' ND2' HG12 ' A' ' 115' ' ' VAL . 83.7 m-20 -61.53 -37.1 82.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.756 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.498 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 90.3 m-20 -60.79 -38.35 85.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.817 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.3 t -62.29 -45.22 99.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.643 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.746 HD21 ' OD1' ' A' ' 81' ' ' ASP . 96.5 mt -66.84 -30.97 71.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.979 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.648 HD22 HG21 ' A' ' 74' ' ' VAL . 82.3 m-20 60.27 45.41 11.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.025 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.549 179.616 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.391 -0.596 . . . . 5.28 109.391 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 m -74.77 161.26 29.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 4.1 110.586 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.6 tp -50.19 -49.74 51.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 2.76 110.352 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 9' ' ' GLY . 46.4 m-85 -55.65 -37.97 68.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 5.2 110.669 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -63.77 -24.24 67.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 4.95 110.72 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -80.45 -54.15 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.295 -0.411 . . . . 3.75 110.58 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.7 mt -80.87 -45.32 17.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 2.7 110.76 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 5' ' ' TYR . . . 83.55 26.92 40.87 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.878 -0.889 . . . . 2.96 110.878 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.28 137.57 4.7 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.902 -0.879 . . . . 2.4 110.902 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.28 -57.94 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 2.48 110.566 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -45.86 -43.12 13.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 2.28 110.626 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.45 -29.79 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 1.86 110.603 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.9 t -78.54 -39.48 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 1.48 110.62 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -57.73 -48.13 80.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 2.06 110.594 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.598 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.3 mm? -71.25 -50.7 30.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 2.59 110.308 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.92 -45.92 31.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 1.05 110.579 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.0 t -73.4 -48.01 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.91 110.574 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -50.36 -41.76 52.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 2.35 110.562 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -59.01 -51.95 67.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 2.04 110.582 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -61.92 -52.9 62.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.81 110.527 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -48.56 -52.79 21.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.73 110.603 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.49 -35.19 50.63 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.933 -0.867 . . . . 0.64 110.933 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -74.32 -43.69 55.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 2.42 110.573 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.5 t -60.38 -26.05 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.69 110.59 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.3 tp -69.69 -43.49 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 1.62 110.277 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.96 -38.37 70.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.76 110.569 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -77.88 88.44 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.69 110.55 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -71.18 -1.35 12.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 2.55 110.595 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -73.41 -54.42 8.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 2.02 110.608 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.6 m -72.62 -23.2 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.53 110.556 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -60.52 -29.09 68.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.47 110.565 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 36' ' ' VAL . 56.1 mtp180 -51.93 -29.63 21.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 3.12 110.645 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.473 ' CE2' ' HB1' ' A' ' 77' ' ' ALA . 76.6 m-85 -82.28 -35.28 28.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.9 110.634 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -79.7 25.61 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.62 110.723 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 33' ' ' ARG . 89.9 t -79.07 -40.17 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 1.42 110.464 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -74.43 -40.07 62.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.16 110.566 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.4 m -79.92 145.3 32.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.79 110.577 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.2 p30 -77.97 168.51 19.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.74 110.539 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.6 mtt -69.4 -24.01 63.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 1.9 110.602 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.21 -59.01 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.65 110.536 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -67.44 -23.6 65.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 2.39 110.581 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.523 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.7 tt0 -56.71 -58.3 8.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.54 110.552 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -46.52 -45.62 18.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 1.73 110.59 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -49.98 -33.32 17.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 1.43 110.572 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -66.2 -51.89 53.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.4 110.564 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 4.1 mp0 -59.35 -23.51 62.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.68 110.506 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -76.14 -58.0 3.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 2.05 110.629 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -63.67 -26.13 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.45 110.563 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -76.12 -54.54 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.75 110.55 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.8 ttt -58.24 -21.14 47.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 1.23 110.615 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 54' ' ' ALA . 22.3 m -77.98 -56.92 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.57 110.578 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.451 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 53.5 t80 -49.88 -17.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.66 110.554 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 52' ' ' THR . . . -64.43 -43.8 93.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.53 110.601 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -77.55 14.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 1.38 110.586 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.54 31.46 50.43 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.928 -0.869 . . . . 0.63 110.928 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 59' ' ' ASP . . . -71.43 65.41 1.03 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.948 -0.861 . . . . 0.9 110.948 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.2 p -78.62 31.06 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.802 0.334 . . . . 1.64 110.619 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 57' ' ' GLY . 1.2 m-20 -46.84 -56.67 5.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 2.58 110.579 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.525 ' O ' ' CG ' ' A' ' 61' ' ' PHE . 51.0 mtm180 -152.89 106.01 3.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.212 -0.449 . . . . 6.56 110.405 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 60' ' ' ARG . 90.6 m-85 -159.64 59.47 1.34 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 2.36 110.567 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.29 34.54 0.37 Allowed 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.698 2.266 . . . . 4.19 111.873 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 65' ' ' SER . . . 47.12 -130.85 13.56 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.985 -0.846 . . . . 3.09 110.985 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.8 ttm-85 61.0 -73.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 7.75 110.626 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 63' ' ' GLY . 15.2 p -73.26 -36.6 66.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 2.03 110.651 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.4 mmt -51.99 -45.5 64.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.81 110.557 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' GLN . 87.7 mtt180 -62.8 -58.89 5.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 1.66 110.617 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.38 -48.33 65.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.52 110.572 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.47 -47.78 69.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.47 110.595 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -78.16 -20.95 50.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.39 110.626 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 67' ' ' ARG . 54.9 tt0 -61.95 -41.5 98.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 1.54 110.606 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -52.94 -23.96 8.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.65 110.588 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.3 mt -76.98 -59.02 2.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.5 110.605 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.6 t -50.85 -17.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.49 110.65 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -78.11 -52.24 9.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 2.03 110.618 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -89.85 -60.28 1.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.293 -0.412 . . . . 0.94 110.628 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.473 ' HB1' ' CE2' ' A' ' 34' ' ' PHE . . . -82.98 138.82 33.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.61 110.667 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -81.2 64.85 4.09 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.91 -0.876 . . . . 0.53 110.91 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.6 tp -59.72 149.28 31.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 0.73 110.447 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.521 ' OG1' ' ND1' ' A' ' 83' ' ' HIS . 77.2 p -144.38 -171.98 3.7 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.209 -0.45 . . . . 0.97 110.482 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 83' ' ' HIS . 1.7 m-20 -78.0 -54.54 6.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 1.24 110.693 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.7 p -44.99 -17.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.92 110.663 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.521 ' ND1' ' OG1' ' A' ' 80' ' ' THR . 31.1 m170 -78.05 -41.13 36.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.72 110.574 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' ASP . 36.7 t80 -66.83 -37.68 84.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.64 110.574 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -67.97 -27.93 67.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.92 110.566 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.17 -64.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.49 110.584 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.5 tt -58.55 -33.09 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.41 110.592 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.77 94.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.38 110.549 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -64.35 -50.99 65.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 2.09 110.539 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -44.7 -43.07 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.4 110.744 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.6 tp -57.46 -46.4 83.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.4 110.336 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.41 -44.08 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.42 110.776 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.94 -20.89 65.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.57 110.75 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 m -71.9 -46.29 58.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.358 -0.383 . . . . 0.53 110.599 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.7 mt -68.69 -22.91 64.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.6 110.569 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -73.23 -25.47 60.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 2.18 110.463 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -76.22 -31.51 58.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.88 110.582 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.3 mt -77.96 3.63 14.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.91 110.514 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.6 t30 61.32 56.16 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 1.17 111.024 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 81.1 t -109.46 132.15 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.361 -0.381 . . . . 0.77 110.296 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 t -45.58 160.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.93 110.66 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.8 tp60 -77.1 -45.59 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 1.18 110.711 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -44.93 -40.91 6.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 1.05 110.709 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 20.6 mt -73.04 -37.83 66.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.96 110.611 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.96 -21.96 21.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.6 110.438 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -69.5 -43.7 72.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.72 110.479 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.38 -38.03 88.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 2.21 110.536 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.61 -46.74 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.48 110.515 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 113' ' ' GLY . 88.0 t -54.99 -37.91 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.52 110.548 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.9 m -59.03 -53.73 55.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.66 110.618 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.2 mt -47.88 -59.01 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.56 110.598 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.7 m -73.54 -12.06 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.61 110.624 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -78.93 11.07 29.84 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.907 -0.877 . . . . 0.9 110.907 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.2 m -60.32 138.4 57.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.62 110.566 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 64.0 t -76.12 -30.9 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.8 110.546 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -65.55 -61.0 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 1.74 110.567 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -46.79 -40.68 14.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.42 110.535 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -68.24 -43.87 76.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 2.01 110.526 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -62.4 -27.74 69.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.69 110.575 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -68.28 -38.57 81.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.53 110.609 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.41 -49.99 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.72 110.585 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.3 mt -72.54 -14.13 61.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 1.05 110.503 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 54.19 95.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.9 110.591 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.967 -1.016 . . . . 4.41 110.434 -179.943 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' HEB . . . . . 0.779 HBB2 HMB1 ' A' ' 125' ' ' HEB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -125.66 148.63 48.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.733 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.432 HD12 ' HD2' ' A' ' 7' ' ' LYS . 18.5 tp -54.64 -34.92 62.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.182 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.694 ' CD1' ' N ' ' A' ' 11' ' ' ALA . 1.2 t80 -51.78 -42.41 62.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.993 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.37 -38.69 90.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.432 ' HD2' HD12 ' A' ' 4' ' ' LEU . 24.8 mttt -64.03 -53.54 48.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.15 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.871 HD12 HG22 ' A' ' 14' ' ' VAL . 72.6 mt -69.44 -36.69 76.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.803 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.45 6.12 71.22 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.523 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -141.0 95.92 0.2 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.694 ' N ' ' CD1' ' A' ' 5' ' ' TYR . . . -62.61 -37.51 86.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.318 . . . . 0.0 110.7 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.13 -40.83 97.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.491 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.64 78.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.667 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.871 HG22 HD12 ' A' ' 8' ' ' LEU . 95.6 t -63.12 -44.63 99.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.848 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -61.96 -41.91 98.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.961 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.15 -40.15 95.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.716 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.33 -36.86 85.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.009 0.433 . . . . 0.0 110.599 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 14' ' ' VAL . 71.9 t -64.39 -39.32 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.961 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -61.7 -39.61 92.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.965 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -63.07 -45.21 93.23 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.281 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.435 ' O ' HG23 ' A' ' 25' ' ' VAL . 61.6 t80 -68.0 -43.38 79.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.762 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -57.92 -43.23 86.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.23 -44.52 94.91 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.749 -0.941 . . . . 0.0 110.749 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.499 ' NZ ' ' CD ' ' A' ' 97' ' ' GLU . 0.1 OUTLIER -65.07 -39.89 93.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.913 0.387 . . . . 0.0 110.623 179.764 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.625 HG11 HE21 ' A' ' 47' ' ' GLN . 73.8 t -63.49 -44.8 98.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.245 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.731 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -70.7 -30.22 66.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.591 -179.708 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.71 -35.69 73.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.69 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -87.16 113.16 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.367 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.73 -20.98 59.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.001 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.1 mtm180 -57.13 -41.14 78.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.227 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 m -82.11 -28.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.656 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -56.94 -29.82 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.964 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 36' ' ' VAL . 79.2 mtp180 -53.11 -39.28 63.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.498 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -71.94 -30.63 65.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -87.05 8.27 24.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.32 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 33' ' ' ARG . 53.4 t -57.13 -40.8 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.363 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -87.2 5.39 38.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.53 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.5 m -120.99 140.28 52.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.562 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 39' ' ' ASP . 53.0 p30 -79.97 163.24 24.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.785 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.11 -34.33 74.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.8 -57.91 10.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.653 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -62.45 -34.4 76.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.605 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.49 ' O ' ' OE1' ' A' ' 47' ' ' GLN . 7.4 tt0 -55.33 -42.96 74.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -61.86 -37.72 85.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.777 0.322 . . . . 0.0 110.801 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -59.88 -43.22 94.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.932 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.429 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 55.7 t-80 -64.07 -42.24 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.823 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.625 HE21 HG11 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -59.23 -37.74 78.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.717 -179.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -60.78 -46.83 88.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.827 0.346 . . . . 0.0 110.486 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -66.52 -38.79 87.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -60.46 -50.41 73.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.7 ttt -64.9 -38.58 91.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.4 m -59.03 -43.38 91.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -60.97 -40.36 93.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.595 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.731 ' O ' HG21 ' A' ' 111' ' ' ILE . . . -61.8 -36.08 80.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.717 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -77.23 -4.16 43.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.654 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.97 7.78 60.91 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.08 68.76 2.27 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.572 ' O ' ' N ' ' A' ' 60' ' ' ARG . 54.1 p -67.14 -25.88 66.39 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.318 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.547 ' OD1' ' CE2' ' A' ' 61' ' ' PHE . 41.6 p30 25.91 39.05 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.471 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.572 ' N ' ' O ' ' A' ' 58' ' ' THR . 77.8 mmt-85 53.36 115.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.606 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.547 ' CE2' ' OD1' ' A' ' 59' ' ' ASP . 26.3 m-85 -127.01 72.29 76.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.539 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -80.26 -68.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.768 2.312 . . . . 0.0 112.166 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.06 -131.49 44.83 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 65' ' ' SER . 36.2 ptt-85 -123.67 27.65 7.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.684 0.278 . . . . 0.0 110.388 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 6.2 p 92.3 119.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.34 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.6 mmt -57.95 -34.54 70.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.914 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -57.21 -40.67 77.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.661 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.44 -38.56 81.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.782 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.03 86.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.98 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -93.2 -9.51 39.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.981 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -57.78 -38.28 75.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.787 0.327 . . . . 0.0 110.621 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -57.17 -39.81 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.697 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.593 HD11 HMD2 ' A' ' 125' ' ' HEB . 75.2 mt -62.51 -39.97 95.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.509 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.4 t -67.04 -42.37 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -64.09 -35.63 81.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.178 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -88.65 -62.28 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.092 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.75 146.89 35.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.802 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.53 113.4 3.81 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 tp -99.35 129.51 45.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.596 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.492 ' OG1' HG12 ' A' ' 82' ' ' VAL . 74.6 p -125.23 168.04 14.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.807 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.727 ' OD1' HD11 ' A' ' 122' ' ' LEU . 94.1 m-20 -55.49 -37.7 68.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.705 -179.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.492 HG12 ' OG1' ' A' ' 80' ' ' THR . 3.4 p -54.58 -39.24 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.594 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.445 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 50.9 m80 -60.25 -44.12 95.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.916 0.388 . . . . 0.0 110.451 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.41 ' CD1' HG21 ' A' ' 121' ' ' VAL . 65.5 t80 -59.9 -44.88 94.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.358 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -64.58 -33.42 75.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.6 -60.09 3.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.401 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.2 tt -63.51 -27.83 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.545 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.54 -42.61 95.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.624 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.75 -34.69 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.631 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -55.52 -39.4 70.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.422 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.9 tp -64.64 -39.91 94.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.526 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.659 HG13 HG21 ' A' ' 105' ' ' ILE . 71.6 t -64.64 -45.24 95.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.678 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.0 mt -64.79 -34.99 79.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.8 m -57.96 -43.22 86.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.623 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.603 HD12 HG23 ' A' ' 105' ' ' ILE . 77.1 mt -65.44 -36.06 82.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.538 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.57 -38.09 83.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.696 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.499 ' CD ' ' NZ ' ' A' ' 24' ' ' LYS . 96.6 mt-10 -64.64 -30.7 71.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.0 mt -81.47 3.27 25.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.581 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 62.24 49.58 4.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.551 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.3 t -105.16 138.59 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.8 t -56.15 140.38 44.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.696 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.616 ' HA ' HD12 ' A' ' 105' ' ' ILE . 68.1 tp60 -58.92 -35.97 73.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.114 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -54.82 -42.7 72.22 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.678 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.5 -36.55 83.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.311 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.659 HG21 HG13 ' A' ' 92' ' ' VAL . 79.6 mt -60.89 -40.51 85.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.608 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -58.15 -39.27 78.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.679 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -60.58 -39.23 87.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.1 t -66.68 -39.48 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.619 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.8 t -60.58 -40.79 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.74 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.4 m -59.81 -39.53 85.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.954 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.731 HG21 ' O ' ' A' ' 54' ' ' ALA . 87.7 mt -57.34 -50.4 76.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.915 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 114' ' ' SER . 29.4 m -77.14 -28.15 16.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.891 0.377 . . . . 0.0 110.554 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.4 69.91 0.04 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 112' ' ' VAL . 48.7 m -117.45 139.09 51.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.851 0.358 . . . . 0.0 110.453 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.476 HG12 HD21 ' A' ' 119' ' ' ASN . 77.2 t -69.45 -41.49 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.183 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -58.81 -44.65 90.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.246 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -65.43 -46.17 80.99 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.49 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.588 ' NH2' ' OD2' ' A' ' 81' ' ' ASP . 79.6 ttt-85 -59.09 -41.85 89.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.663 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.476 HD21 HG12 ' A' ' 115' ' ' VAL . 85.3 m-20 -60.49 -38.43 84.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -60.86 -36.75 79.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.594 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.41 HG21 ' CD1' ' A' ' 84' ' ' PHE . 94.3 t -60.53 -42.87 93.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.75 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.727 HD11 ' OD1' ' A' ' 81' ' ' ASP . 79.0 mt -90.51 -0.36 57.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.72 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 58.5 43.28 19.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.494 179.766 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' HEB . . . . . 0.618 HBB2 HMB1 ' A' ' 125' ' ' HEB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -114.96 138.14 51.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.325 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 50.1 tp -52.9 -38.12 61.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.545 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.603 ' CE2' ' HB2' ' A' ' 11' ' ' ALA . 89.8 m-85 -60.94 -41.11 95.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -70.47 -39.25 74.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -58.93 -47.78 83.85 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.882 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.436 HD12 HG22 ' A' ' 14' ' ' VAL . 58.0 mt -99.93 -9.22 23.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.884 0.373 . . . . 0.0 110.58 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 5' ' ' TYR . . . 75.64 4.83 76.87 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.689 -0.965 . . . . 0.0 110.689 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 173.65 130.25 1.25 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.603 ' HB2' ' CE2' ' A' ' 5' ' ' TYR . . . -64.57 -25.34 67.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.709 0.29 . . . . 0.0 110.653 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.495 ' O ' ' OD2' ' A' ' 15' ' ' ASP . . . -58.83 -32.92 69.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.414 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.24 -25.55 67.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.752 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.523 ' O ' HG23 ' A' ' 18' ' ' VAL . 62.6 t -59.86 -41.72 86.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.495 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -60.25 -38.71 84.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.436 -179.439 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.3 tp -62.54 -42.84 99.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.323 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.84 -40.22 72.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.651 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 14' ' ' VAL . 69.6 t -63.41 -38.67 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.768 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -56.64 -49.0 76.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.641 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -63.58 -40.13 96.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.567 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -58.72 -40.97 85.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.568 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -56.73 -41.08 76.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.668 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.27 -43.07 93.75 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.486 ' NZ ' ' OE2' ' A' ' 97' ' ' GLU . 3.9 mptp? -62.37 -37.47 85.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.711 0.291 . . . . 0.0 110.522 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.81 -40.66 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.679 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.603 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -62.7 -38.78 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.314 -179.77 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.02 94.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.362 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.479 ' O ' HG22 ' A' ' 31' ' ' VAL . 53.2 t0 -87.77 97.37 10.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.632 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -74.31 -24.9 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.785 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -52.53 -39.79 61.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.788 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 28' ' ' ASP . 16.3 m -78.78 -31.16 15.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 110.62 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -56.71 -30.13 63.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.666 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.676 ' O ' HG13 ' A' ' 36' ' ' VAL . 92.2 mtt180 -53.31 -36.74 61.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.573 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -77.8 -18.35 56.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -97.74 13.08 31.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.037 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 33' ' ' ARG . 30.3 m -63.91 -35.72 74.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.721 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -89.08 4.63 47.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.741 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.0 m -124.81 141.83 51.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.598 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.44 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 54.5 p30 -81.57 163.18 22.8 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.519 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.4 mtt -62.0 -34.94 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.85 -58.85 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.677 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -62.8 -33.87 76.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.444 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.593 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.4 tt0 -55.44 -40.19 71.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.535 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -59.03 -36.19 74.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.724 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -59.09 -40.53 85.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -60.57 -45.66 93.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.597 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.593 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 1.7 mp0 -61.19 -37.11 81.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.001 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -60.82 -53.03 62.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.363 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -66.26 -39.24 89.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.532 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -59.6 -47.78 84.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.671 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.7 tpt -62.45 -40.82 97.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.663 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.494 HG22 ' HA3' ' A' ' 57' ' ' GLY . 31.0 m -62.64 -42.05 99.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.641 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -61.02 -36.22 78.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.572 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.93 -30.9 64.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.551 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -90.64 5.91 46.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.667 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.36 37.27 21.47 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.494 ' HA3' HG22 ' A' ' 52' ' ' THR . . . -70.17 47.22 0.65 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.8 p -64.05 -6.47 6.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.712 0.291 . . . . 0.0 110.518 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -52.81 -36.87 59.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.504 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 61' ' ' PHE . 39.9 ttt85 -95.21 -132.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.245 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 60' ' ' ARG . 12.9 m-85 35.13 72.2 0.75 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 0.0 110.713 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -52.91 -26.93 33.19 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.78 2.32 . . . . 0.0 112.18 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . 148.01 -72.22 0.31 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 63' ' ' GLY . 23.5 mmt180 36.89 -153.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.767 0.318 . . . . 0.0 110.457 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 p -129.01 86.99 2.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.765 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 32.3 mmt -59.73 -36.39 76.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.614 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' GLN . 98.5 mtt180 -59.75 -40.37 87.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.764 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.61 -36.65 84.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.53 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.61 -33.66 76.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.46 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -98.11 -14.3 20.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.748 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.509 ' O ' ' OE1' ' A' ' 75' ' ' GLU . 63.5 tt0 -58.63 -40.04 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.825 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -56.21 -39.54 72.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.858 0.361 . . . . 0.0 110.642 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.796 HD11 HMD2 ' A' ' 125' ' ' HEB . 87.7 mt -63.18 -36.38 83.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.18 -49.48 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.891 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' A' ' 71' ' ' GLN . 15.9 mp0 -68.77 -36.75 78.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.915 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -78.82 -61.16 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.635 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.501 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -111.69 161.88 15.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.758 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.45 115.08 4.54 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.41 HD21 HG12 ' A' ' 121' ' ' VAL . 37.6 tp -98.57 131.59 44.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.603 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.585 ' OG1' ' CE1' ' A' ' 83' ' ' HIS . 33.3 p -122.85 161.52 23.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.735 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -59.35 -37.3 77.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.979 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 2.3 p -55.95 -36.83 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.585 ' CE1' ' OG1' ' A' ' 80' ' ' THR . 38.7 m80 -57.29 -44.61 84.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.838 0.351 . . . . 0.0 110.716 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -61.47 -47.27 86.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.404 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -63.9 -33.48 75.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.1 -62.87 1.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -61.94 -30.87 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.46 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.74 90.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.594 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.03 -37.8 86.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -58.72 -37.63 76.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.661 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.5 tp -60.6 -39.94 89.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.509 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.74 -43.27 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.695 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.73 -36.21 82.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.703 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.5 m -58.77 -42.01 87.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.559 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.507 HD12 HG23 ' A' ' 105' ' ' ILE . 77.3 mt -63.85 -35.6 81.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.615 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.594 ' NE2' ' CD1' ' A' ' 105' ' ' ILE . 99.5 mm-40 -59.64 -37.99 80.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.583 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.486 ' OE2' ' NZ ' ' A' ' 24' ' ' LYS . 96.9 mt-10 -64.78 -32.8 74.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.597 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 81.9 mt -77.29 -3.9 42.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.621 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 61.54 49.98 4.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.561 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 91.4 t -99.4 139.6 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.5 t -55.18 139.93 40.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.658 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.475 ' HA ' HD12 ' A' ' 105' ' ' ILE . 63.1 tp60 -58.89 -35.35 72.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -55.41 -43.83 75.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.631 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.26 -37.67 80.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.355 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.594 ' CD1' ' NE2' ' A' ' 96' ' ' GLN . 84.3 mt -61.75 -38.92 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.621 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -58.31 -39.93 80.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.428 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.74 -38.28 87.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.511 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.6 t -64.1 -39.69 86.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.598 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 113' ' ' GLY . 79.0 t -60.54 -41.05 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.483 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.7 m -61.07 -43.34 99.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.63 -52.28 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.845 0.355 . . . . 0.0 111.025 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.52 ' C ' ' H ' ' A' ' 114' ' ' SER . 20.1 m -77.57 -22.34 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.423 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -63.46 5.54 0.7 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.52 ' H ' ' C ' ' A' ' 112' ' ' VAL . 50.9 m -57.28 126.07 25.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 110.465 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 71.3 t -69.14 -38.73 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.791 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -56.12 -44.49 79.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.708 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -66.06 -43.47 87.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.579 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -57.41 -43.52 83.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.535 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -64.01 -37.58 87.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.711 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.5 m-20 -59.4 -39.14 82.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.41 HG12 HD21 ' A' ' 79' ' ' LEU . 71.9 t -62.8 -42.26 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.605 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.463 HD13 HH21 ' A' ' 124' ' ' ARG . 22.1 mt -86.61 -7.66 58.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.579 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 56.7 m-20 59.92 45.16 12.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.699 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.463 HH21 HD13 ' A' ' 122' ' ' LEU . 80.1 mtm180 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.923 -1.036 . . . . 0.0 110.574 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' HEB . . . . . 0.796 HMD2 HD11 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -119.94 145.55 46.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.634 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.544 HD22 HG23 ' A' ' 52' ' ' THR . 42.8 tp -60.01 -36.91 78.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.674 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -61.35 -37.11 82.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.3 -35.62 77.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.998 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 tptm -59.72 -51.03 71.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.775 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.7 mt -70.7 -36.41 73.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.34 . . . . 0.0 110.721 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.08 5.31 67.99 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.24 111.39 0.47 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.19 -33.2 75.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.685 0.279 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.94 -33.8 74.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.779 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.57 -31.11 72.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.49 ' O ' HG23 ' A' ' 18' ' ' VAL . 78.5 t -60.56 -41.88 89.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.046 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -57.21 -41.41 79.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.849 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.453 ' O ' ' CD ' ' A' ' 20' ' ' LYS . 75.4 mt -65.6 -40.01 92.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.58 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.29 -38.36 81.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.633 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 14' ' ' VAL . 73.8 t -64.32 -37.91 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.951 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 19' ' ' GLU . 3.4 tm-20 -55.84 -41.18 73.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.831 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.453 ' CD ' ' O ' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -63.04 -44.89 94.65 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.35 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -68.38 -46.51 69.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.457 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -59.81 -43.12 94.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.726 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.26 -42.09 97.12 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -61.3 -42.06 98.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.367 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.2 t -64.28 -40.81 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.537 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 tp -58.75 -36.57 74.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.389 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.8 88.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.419 ' O ' HG22 ' A' ' 31' ' ' VAL . 59.8 t0 -87.15 102.66 14.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.927 0.394 . . . . 0.0 110.659 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -73.13 -25.5 60.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -53.98 -41.63 68.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.701 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 28' ' ' ASP . 16.4 m -79.67 -29.12 13.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.837 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -57.77 -31.1 66.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -54.22 -40.09 67.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.876 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -69.52 -33.85 73.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.074 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.486 ' O ' ' O ' ' A' ' 38' ' ' THR . 90.6 m-85 -80.75 3.46 22.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.3 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.1 t -56.9 -43.92 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.286 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -60.07 -33.65 72.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.467 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.486 ' O ' ' O ' ' A' ' 35' ' ' PHE . 33.0 m -96.93 142.61 28.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.671 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 48.5 p30 -71.2 157.36 38.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.431 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.1 mtp -60.76 -35.02 75.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.242 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.25 -58.7 7.23 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.954 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.44 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -61.07 -34.63 75.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.385 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.586 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.3 tt0 -53.68 -39.14 64.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.975 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -57.64 -38.26 74.73 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.52 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.42 -39.17 89.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -59.87 -47.49 85.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.874 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.586 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 1.2 mp0 -60.68 -39.3 87.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.526 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -62.33 -47.15 85.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 110.327 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -64.91 -38.56 91.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.569 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.479 ' CE1' HBB3 ' A' ' 125' ' ' HEB . 63.7 t80 -58.26 -45.36 87.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.733 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.3 ttt -61.9 -40.42 95.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.611 HG22 ' HA3' ' A' ' 57' ' ' GLY . 46.7 m -59.35 -40.43 86.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.901 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.2 -38.22 82.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.705 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.89 -32.07 71.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.009 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -88.31 10.22 20.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.949 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.505 ' C ' ' H ' ' A' ' 58' ' ' THR . . . 83.98 37.21 11.71 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.611 ' HA3' HG22 ' A' ' 52' ' ' THR . . . -69.31 40.27 0.35 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.505 ' H ' ' C ' ' A' ' 56' ' ' GLY . 48.2 p -81.86 16.14 1.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 110.706 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -50.48 -37.49 38.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.801 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -147.46 62.27 1.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.936 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.577 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 44.2 m-85 -127.5 61.57 50.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.403 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -65.84 -19.28 58.78 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.654 2.236 . . . . 0.0 112.396 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.18 42.04 16.29 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.677 -0.969 . . . . 0.0 110.677 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.3 tpp85 -53.93 -38.97 65.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.593 0.235 . . . . 0.0 110.732 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.3 p -176.44 44.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.833 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 mmt -59.55 -34.71 73.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.597 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -57.46 -37.55 73.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.677 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.2 79.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.689 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.61 87.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.699 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -94.06 -16.12 24.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.739 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -58.05 -39.01 77.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.534 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -59.2 -38.94 81.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.694 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.811 HD11 HMD2 ' A' ' 125' ' ' HEB . 98.0 mt -60.14 -38.97 84.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.711 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.02 -42.73 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.804 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.64 -36.25 83.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.826 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -90.3 -60.89 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.018 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . -110.16 148.54 31.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.968 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.69 105.95 3.22 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.6 tp -102.61 134.03 46.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.558 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.5 ' OG1' HG12 ' A' ' 82' ' ' VAL . 71.4 p -120.42 163.38 17.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.825 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.78 ' OD1' HD21 ' A' ' 122' ' ' LEU . 96.6 m-20 -57.67 -36.62 72.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.982 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.5 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.9 p -52.99 -37.73 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.826 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.41 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 76.5 m80 -57.79 -41.83 82.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.481 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -58.71 -44.58 90.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.437 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -62.75 -35.73 80.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.823 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.73 -58.76 5.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.337 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.8 tt -62.39 -30.06 48.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.676 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.56 -39.76 94.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.441 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.6 -36.56 81.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.533 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -58.29 -38.26 76.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.91 -39.46 89.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.512 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.621 HG13 HG21 ' A' ' 105' ' ' ILE . 72.9 t -63.54 -42.96 97.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.688 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.1 mt -63.6 -36.35 83.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.773 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.6 m -58.91 -42.07 88.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.737 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.723 HD12 HG23 ' A' ' 105' ' ' ILE . 77.0 mt -62.89 -35.51 80.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.597 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.47 ' OE1' HD11 ' A' ' 105' ' ' ILE . 14.8 mm100 -59.7 -36.19 76.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.493 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.8 -31.23 72.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.54 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.422 ' HB2' HG23 ' A' ' 100' ' ' VAL . 56.9 mt -82.16 1.35 36.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.665 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 61.35 50.31 4.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.924 0.393 . . . . 0.0 110.543 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.422 HG23 ' HB2' ' A' ' 98' ' ' LEU . 46.5 t -103.01 138.86 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.449 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.2 t -55.07 140.67 37.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.752 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.64 ' NE2' HD12 ' A' ' 105' ' ' ILE . 0.8 OUTLIER -59.0 -36.75 75.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.119 -179.702 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -55.77 -43.11 76.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.825 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.83 -36.97 83.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.31 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.723 HG23 HD12 ' A' ' 95' ' ' LEU . 81.8 mt -60.7 -40.0 83.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.582 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.16 -39.78 79.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.549 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.93 -37.07 83.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.339 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.69 -39.42 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.631 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 113' ' ' GLY . 70.1 t -59.61 -41.52 85.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.708 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.6 m -60.48 -41.39 94.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.5 mt -59.37 -50.87 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.923 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.6 m -80.6 -22.55 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.646 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -79.57 78.28 1.78 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.5 m -120.53 141.04 50.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 110.372 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.655 HG12 ' ND2' ' A' ' 119' ' ' ASN . 69.4 t -67.39 -42.16 87.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.008 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -59.57 -44.41 93.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -64.8 -46.96 79.83 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.461 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.588 ' NH2' ' OD2' ' A' ' 81' ' ' ASP . 78.0 ttt-85 -60.48 -43.46 96.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.391 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.655 ' ND2' HG12 ' A' ' 115' ' ' VAL . 86.0 m-20 -62.86 -36.07 82.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.75 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.488 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 91.4 m-20 -58.48 -38.9 78.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.4 t -61.72 -43.65 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.373 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.78 HD21 ' OD1' ' A' ' 81' ' ' ASP . 98.7 mt -65.27 -29.57 70.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.806 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.488 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 78.5 m-20 60.79 44.14 11.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.331 -179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.544 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' HEB . . . . . 0.811 HMD2 HD11 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.9 p -120.52 149.85 41.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.674 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.7 tp -61.38 -34.62 75.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.673 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.47 ' CE1' ' N ' ' A' ' 11' ' ' ALA . 4.3 t80 -52.47 -41.81 63.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.491 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.422 ' CD ' ' C ' ' A' ' 6' ' ' GLU . 0.8 OUTLIER -68.35 -31.4 70.76 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.884 -179.62 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -65.15 -54.37 30.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.895 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.884 HD12 HG22 ' A' ' 14' ' ' VAL . 74.3 mt -71.67 -37.04 70.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.963 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.5 5.62 69.15 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.62 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -144.51 106.89 0.42 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.47 ' N ' ' CE1' ' A' ' 5' ' ' TYR . . . -65.59 -39.3 91.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 0.0 110.929 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.5 95.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.96 -30.79 71.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.77 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.884 HG22 HD12 ' A' ' 8' ' ' LEU . 80.7 t -60.95 -41.33 88.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.058 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -58.65 -41.6 86.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.125 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.591 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 2.4 mm? -66.69 -37.88 85.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.82 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.94 -38.31 90.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.716 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.2 t -64.44 -39.8 86.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.771 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.73 -37.11 85.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.912 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -60.49 -42.13 95.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.51 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -65.53 -43.61 89.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.546 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -57.59 -41.47 81.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.752 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.0 -42.29 86.62 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -62.06 -39.87 93.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.404 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.27 -40.45 86.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.604 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.3 tp -57.83 -37.83 74.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.633 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.84 93.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.723 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.4 ' O ' HG22 ' A' ' 31' ' ' VAL . 60.2 t0 -90.43 101.8 14.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.964 0.411 . . . . 0.0 110.769 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.68 -27.4 61.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.102 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -54.65 -41.16 69.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.651 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 28' ' ' ASP . 27.2 m -78.05 -31.39 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.904 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -58.19 -33.2 69.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 36' ' ' VAL . 77.1 mtp85 -55.88 -39.62 71.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.088 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -69.0 -31.7 70.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.347 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.506 ' O ' ' O ' ' A' ' 38' ' ' THR . 89.0 m-85 -85.42 6.98 24.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.368 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 33' ' ' ARG . 53.8 t -57.47 -43.12 82.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.435 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -60.22 -33.58 72.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.506 ' O ' ' O ' ' A' ' 35' ' ' PHE . 49.0 m -99.75 141.89 31.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.858 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.442 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.3 p30 -76.87 167.48 21.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.561 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.401 ' HA ' HE21 ' A' ' 43' ' ' GLN . 65.2 mtt -61.32 -34.69 75.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.285 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.48 -58.98 6.15 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.044 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -62.58 -31.93 72.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.657 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.579 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.3 tt0 -55.41 -40.96 72.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.709 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -60.08 -38.48 83.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.653 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -59.65 -38.43 81.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.655 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -59.41 -45.59 91.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.795 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.579 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -61.33 -39.22 89.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.694 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.3 tptt -61.17 -49.08 78.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 0.0 110.117 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -68.14 -38.07 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.586 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.652 ' CE1' HBB3 ' A' ' 125' ' ' HEB . 66.9 t80 -60.4 -49.08 79.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.052 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 57.4 ttm -62.83 -40.3 97.01 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.701 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.6 m -60.7 -42.39 97.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -62.0 -41.88 98.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.527 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.5 -31.6 72.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.702 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -75.77 10.11 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.681 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.71 26.21 17.97 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.3 47.84 0.69 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.548 ' C ' ' H ' ' A' ' 60' ' ' ARG . 72.7 p -87.06 25.92 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.564 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.426 ' OD1' ' C ' ' A' ' 59' ' ' ASP . 51.9 p30 -72.54 21.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.278 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.548 ' H ' ' C ' ' A' ' 58' ' ' THR . 60.0 mtp85 61.4 94.26 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.379 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -67.74 154.2 93.82 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.469 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -56.52 -22.2 41.78 Favored 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.639 2.226 . . . . 0.0 112.242 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.17 83.83 1.59 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.854 -0.899 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -57.81 -33.62 68.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.629 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 m -101.62 77.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.2 mmt -59.28 -37.2 77.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.413 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.536 ' NH1' ' O ' ' A' ' 124' ' ' ARG . 95.2 mtt180 -60.46 -38.24 83.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.963 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.0 77.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.858 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.42 -36.16 82.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.76 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -100.02 -11.87 20.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.11 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' ARG . 50.1 tt0 -58.03 -40.69 81.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.779 0.323 . . . . 0.0 110.708 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -60.56 -38.6 85.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.665 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.485 HD11 HMD2 ' A' ' 125' ' ' HEB . 67.7 mt -60.72 -39.88 90.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.779 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.73 -41.58 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.23 -35.86 81.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -91.31 -61.38 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.944 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.31 148.55 31.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.867 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.36 108.78 3.46 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.8 tp -102.46 133.17 47.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 0.0 110.67 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.529 ' OG1' HG12 ' A' ' 82' ' ' VAL . 69.8 p -121.29 165.42 15.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.702 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.708 ' OD1' HD21 ' A' ' 122' ' ' LEU . 96.0 m-20 -56.89 -37.0 70.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.016 -179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.529 HG12 ' OG1' ' A' ' 80' ' ' THR . 3.5 p -52.76 -38.13 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.908 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.411 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 78.4 m80 -58.38 -41.08 84.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.451 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -58.46 -42.86 88.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.515 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -59.95 -36.75 77.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.76 -59.6 3.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.078 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.4 tt -62.49 -29.99 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.844 -0.343 . . . . 0.0 110.62 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.72 -39.13 93.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.487 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -61.53 -37.58 84.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.468 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -58.7 -37.56 76.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.558 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.6 tp -60.23 -40.39 90.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.436 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.6 t -63.87 -42.5 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.803 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 75.5 mt -62.24 -36.9 83.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.722 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.9 m -59.71 -41.88 91.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.564 HD12 HG23 ' A' ' 105' ' ' ILE . 56.7 mt -63.19 -35.18 79.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.613 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.461 ' NE2' ' CD1' ' A' ' 105' ' ' ILE . 99.6 mm-40 -59.16 -37.35 77.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.894 0.378 . . . . 0.0 110.48 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -64.35 -31.62 72.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.553 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.442 ' HB2' HG23 ' A' ' 100' ' ' VAL . 59.4 mt -81.6 -0.81 44.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.664 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 61.15 50.93 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.57 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.442 HG23 ' HB2' ' A' ' 98' ' ' LEU . 46.1 t -101.78 138.68 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.421 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.6 t -57.29 142.48 43.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.721 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.619 ' NE2' HD12 ' A' ' 105' ' ' ILE . 2.3 tp-100 -59.59 -37.04 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.187 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -55.93 -42.93 76.87 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.951 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.0 mt -66.31 -36.46 83.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.445 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.619 HD12 ' NE2' ' A' ' 102' ' ' GLN . 83.0 mt -60.14 -40.42 83.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.61 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.16 -40.26 80.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.47 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.09 -36.03 83.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.371 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.34 -39.78 86.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.652 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.584 ' O ' ' N ' ' A' ' 113' ' ' GLY . 75.4 t -60.64 -40.45 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.81 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.5 m -58.91 -41.36 87.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 89.6 mt -58.7 -50.59 78.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.869 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 16.6 m -84.36 -19.43 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.648 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -76.57 12.57 10.14 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.4 m -59.06 143.7 47.69 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.37 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 69.1 t -67.18 -40.95 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -58.48 -43.47 88.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.19 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -63.29 -45.34 91.88 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.517 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -59.28 -43.16 92.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.408 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -61.95 -36.49 81.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.745 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.489 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.8 m-20 -59.51 -37.61 78.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.815 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.86 -43.9 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.346 . . . . 0.0 110.422 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.708 HD21 ' OD1' ' A' ' 81' ' ' ASP . 88.5 mt -73.35 -18.99 61.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.489 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 86.4 m-20 59.94 44.25 13.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.934 0.397 . . . . 0.0 110.576 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.536 ' O ' ' NH1' ' A' ' 67' ' ' ARG . 61.5 mtp85 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.555 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' HEB . . . . . 0.68 HBB2 HMB1 ' A' ' 125' ' ' HEB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.402 ' HB3' ' CD2' ' A' ' 5' ' ' TYR . 39.1 m -120.56 140.43 51.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.749 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.485 HD23 HG13 ' A' ' 14' ' ' VAL . 37.0 tp -69.01 -38.23 79.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.582 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.402 ' CD2' ' HB3' ' A' ' 3' ' ' SER . 17.2 p90 -67.62 -19.72 65.26 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.322 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -56.26 -40.33 74.04 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.264 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -73.47 -52.46 13.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.035 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.41 HD12 HG22 ' A' ' 14' ' ' VAL . 74.5 mt -63.91 -36.73 84.9 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.49 12.82 66.49 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -147.91 111.07 0.53 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.66 -36.58 82.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.38 90.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.05 -38.54 91.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.837 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.485 HG13 HD23 ' A' ' 4' ' ' LEU . 73.8 t -63.74 -44.41 98.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.74 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -60.52 -40.99 93.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.8 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.2 tp -62.79 -41.52 99.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.594 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.7 -43.62 75.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.722 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.17 -41.86 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.02 -47.23 85.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.891 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -64.14 -42.8 96.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.331 . . . . 0.0 110.621 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -63.85 -44.41 93.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.43 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -58.86 -43.01 90.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.896 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.46 -44.13 95.5 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -62.19 -40.86 97.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.832 0.348 . . . . 0.0 110.411 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.0 t -63.2 -41.37 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.731 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.8 tp -58.29 -37.27 74.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.5 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.22 -35.37 78.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -83.59 99.88 10.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.951 0.405 . . . . 0.0 110.755 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.21 -27.25 61.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.052 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 -54.99 -41.5 71.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.567 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.7 m -78.88 -30.46 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -57.7 -32.06 67.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.572 ' O ' HG23 ' A' ' 36' ' ' VAL . 74.9 mtp85 -54.4 -39.67 67.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.192 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -67.64 -31.42 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.291 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -84.19 7.32 19.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.199 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 33' ' ' ARG . 53.2 t -58.52 -39.73 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.483 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -84.57 4.7 30.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.6 m -120.92 141.75 50.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.379 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 23.2 p-10 -77.06 163.19 26.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.019 0.437 . . . . 0.0 111.015 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 98.7 mmm -61.46 -34.9 76.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.319 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.32 -56.64 14.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.464 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.434 ' CG ' ' OD1' ' A' ' 39' ' ' ASP . 62.1 mmtt -61.43 -34.56 75.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.982 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.592 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.2 tt0 -55.39 -44.08 75.81 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.791 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -61.69 -37.07 82.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.625 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.61 -40.25 91.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -59.69 -44.62 93.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.619 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.592 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -60.56 -36.7 79.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.73 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -59.57 -48.61 80.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.185 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -66.93 -39.64 87.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.45 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.598 ' CD1' HBB3 ' A' ' 125' ' ' HEB . 66.2 t80 -60.01 -46.05 90.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.889 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.7 tpt -61.63 -39.74 92.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.77 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.622 HG22 ' HA3' ' A' ' 57' ' ' GLY . 46.7 m -60.21 -40.11 88.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.781 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -59.85 -37.8 80.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.713 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.75 ' O ' HG21 ' A' ' 111' ' ' ILE . . . -60.02 -31.1 69.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -92.39 13.32 19.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.554 ' C ' ' H ' ' A' ' 58' ' ' THR . . . 84.55 37.03 11.08 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.622 ' HA3' HG22 ' A' ' 52' ' ' THR . . . -68.38 15.85 0.56 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.554 ' H ' ' C ' ' A' ' 56' ' ' GLY . 46.2 p -63.89 -1.13 1.29 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.762 0.315 . . . . 0.0 110.695 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 57' ' ' GLY . 22.1 t70 -50.26 -37.5 36.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.002 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -128.88 68.9 1.39 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.829 0.347 . . . . 0.0 110.813 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -140.21 60.72 15.3 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.774 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -63.48 -19.4 67.78 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.569 2.179 . . . . 0.0 112.254 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.65 40.19 19.04 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.448 ' C ' ' OG ' ' A' ' 65' ' ' SER . 40.0 ttm180 -54.1 -39.87 66.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.677 0.275 . . . . 0.0 110.725 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.448 ' OG ' ' C ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -173.16 36.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.718 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.4 mmt -58.19 -37.9 75.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.547 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.3 -37.05 81.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.485 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.55 -34.9 79.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.5 -37.91 87.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.842 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -93.61 -15.84 24.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.755 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -58.67 -39.01 79.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.752 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -58.47 -39.85 81.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.749 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.945 HD11 HMD2 ' A' ' 125' ' ' HEB . 73.9 mt -62.67 -38.6 90.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.737 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.3 -42.28 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.68 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -64.17 -36.11 82.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -89.28 -61.37 1.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.484 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.28 148.99 30.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.27 101.98 2.66 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.569 -1.013 . . . . 0.0 110.569 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.6 tp -103.19 133.07 48.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 110.44 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.577 ' OG1' HG12 ' A' ' 82' ' ' VAL . 28.0 p -122.09 167.7 12.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.666 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.783 ' OD1' HD21 ' A' ' 122' ' ' LEU . 95.7 m-20 -53.63 -34.34 58.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.544 -179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.577 HG12 ' OG1' ' A' ' 80' ' ' THR . 3.7 p -49.07 -38.25 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.677 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.422 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 77.5 m80 -58.24 -43.92 88.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.883 0.373 . . . . 0.0 110.291 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -60.2 -44.43 95.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.386 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.49 -36.85 79.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.782 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.18 -59.46 3.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.064 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -62.97 -32.56 56.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.569 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.95 -41.7 86.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.433 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.06 -36.67 82.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.454 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -57.44 -38.5 74.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.518 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.27 -40.03 92.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.22 -44.11 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.746 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.8 mt -63.41 -34.91 78.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.721 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.8 m -57.42 -41.59 80.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.681 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.668 HD12 HG23 ' A' ' 105' ' ' ILE . 69.5 mt -62.93 -36.63 84.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.559 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.45 -36.92 79.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.446 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.98 -32.48 73.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.287 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.485 ' HB2' HG23 ' A' ' 100' ' ' VAL . 84.4 mt -79.48 -2.57 42.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.532 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.2 t30 61.04 49.68 5.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.163 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.485 HG23 ' HB2' ' A' ' 98' ' ' LEU . 47.3 t -100.63 139.7 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.457 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.8 t -52.11 139.62 22.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.608 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.491 ' HA ' HD12 ' A' ' 105' ' ' ILE . 67.8 tp60 -59.08 -35.97 74.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.092 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -54.94 -42.73 72.66 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.763 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.82 -37.52 84.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 110.243 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.668 HG23 HD12 ' A' ' 95' ' ' LEU . 79.7 mt -62.19 -38.61 81.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.615 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -57.97 -39.87 79.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.571 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -61.67 -37.84 85.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.28 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.12 -39.13 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.547 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.09 -40.76 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.83 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 48.5 m -59.95 -41.33 91.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.052 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.75 HG21 ' O ' ' A' ' 54' ' ' ALA . 93.1 mt -57.44 -49.31 80.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.779 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 27.3 m -80.83 -17.75 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.992 0.425 . . . . 0.0 110.397 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 114' ' ' SER . . . -54.33 -25.47 33.62 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' GLY . 72.2 m -38.62 112.72 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.922 0.391 . . . . 0.0 110.634 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.89 -35.8 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.049 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -50.75 -41.79 56.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -62.49 -43.49 98.68 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.211 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.63 HH21 ' CB ' ' A' ' 81' ' ' ASP . 74.2 ttt180 -59.0 -40.49 85.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.496 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -59.3 -36.73 76.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.836 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.495 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.8 m-20 -59.34 -38.74 81.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.689 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.42 -44.03 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 0.0 110.457 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.783 HD21 ' OD1' ' A' ' 81' ' ' ASP . 95.8 mt -66.22 -30.81 71.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.882 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.495 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 81.4 m-20 60.22 44.36 12.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.622 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.528 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' HEB . . . . . 0.945 HMD2 HD11 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 t -120.88 143.82 48.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.651 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.8 tp -56.28 -37.86 70.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.468 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 10' ' ' GLY . 94.2 m-85 -61.87 -40.22 94.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.602 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.95 -38.05 89.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.748 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -59.89 -34.56 73.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.73 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.5 mt -87.41 6.36 34.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.828 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.19 16.71 36.98 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.642 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 98.48 169.36 31.53 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.04 -34.86 78.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.637 0.256 . . . . 0.0 110.974 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.29 -43.96 97.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.561 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.21 -31.65 71.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.563 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 10' ' ' GLY . 77.3 t -62.0 -38.84 81.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.907 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -55.71 -41.05 73.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.539 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.658 HD12 ' N ' ' A' ' 16' ' ' LEU . 7.1 mp -67.14 -40.85 86.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.605 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.5 -42.61 78.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.681 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.8 t -64.0 -39.95 87.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.19 -40.34 81.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.737 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -62.29 -44.45 96.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 110.666 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -68.05 -46.89 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -60.92 -41.8 96.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.811 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.1 -45.88 92.07 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -61.82 -39.24 91.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.91 0.385 . . . . 0.0 110.453 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.8 -41.03 89.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.464 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.5 tp -59.23 -36.35 75.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.377 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.86 -36.69 79.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -84.45 103.94 14.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.964 0.411 . . . . 0.0 110.777 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -72.84 -27.87 62.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -53.58 -41.77 66.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.505 -178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 31' ' ' VAL . 21.9 m -77.88 -31.5 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.608 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -57.19 -30.87 64.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.524 ' O ' HG23 ' A' ' 36' ' ' VAL . 72.1 mtp85 -53.73 -39.98 65.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.927 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -70.25 -29.74 66.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.199 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 38' ' ' THR . 96.2 m-85 -88.47 9.3 24.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.304 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 33' ' ' ARG . 55.2 t -56.77 -39.65 65.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.513 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -84.41 3.94 33.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.488 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' PHE . 53.8 m -123.73 139.74 53.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 53.2 p30 -78.79 165.79 23.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 110.578 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.4 mtt -61.05 -35.81 77.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.403 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.1 -55.86 27.6 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.033 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -62.16 -35.5 78.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.608 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.4 tt0 -57.11 -44.98 83.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.841 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -60.86 -35.66 77.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.341 . . . . 0.0 110.729 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -59.5 -41.31 89.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.796 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.507 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 48.1 t-80 -61.34 -44.44 97.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.9 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.608 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.5 OUTLIER -59.66 -38.24 80.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.696 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -60.48 -46.94 88.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.953 0.406 . . . . 0.0 110.092 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -66.41 -40.23 89.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.385 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.479 ' CE1' HBB3 ' A' ' 125' ' ' HEB . 62.1 t80 -61.09 -46.04 92.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.562 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 21.8 ttt -60.77 -40.65 93.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.778 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.72 HG22 ' HA3' ' A' ' 57' ' ' GLY . 41.2 m -62.01 -39.65 92.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -60.37 -38.02 82.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.07 -31.25 68.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.921 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -89.69 11.32 20.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.729 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.467 ' C ' ' H ' ' A' ' 58' ' ' THR . . . 87.92 24.51 34.9 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.72 ' HA3' HG22 ' A' ' 52' ' ' THR . . . -68.87 40.24 0.31 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.467 ' H ' ' C ' ' A' ' 56' ' ' GLY . 48.0 p -62.64 -23.99 67.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.986 0.422 . . . . 0.0 110.077 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -68.22 164.61 20.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.501 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.24 -4.43 1.81 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -128.24 61.99 56.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.226 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -71.55 146.28 49.17 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.898 2.399 . . . . 0.0 112.476 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.89 -169.51 48.59 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.543 ' C ' ' H ' ' A' ' 66' ' ' MET . 4.8 ptp85 -120.23 -105.85 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.448 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.9 t 51.68 6.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.557 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.543 ' H ' ' C ' ' A' ' 64' ' ' ARG . 23.3 mmt -59.53 -35.02 73.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.377 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 71' ' ' GLN . 77.6 mtt85 -57.79 -36.99 72.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.9 85.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.68 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.78 85.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.609 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -93.33 -14.73 26.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' ARG . 41.5 tt0 -57.8 -37.83 74.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -55.8 -40.13 72.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.496 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.705 HD11 HMD2 ' A' ' 125' ' ' HEB . 93.1 mt -63.46 -38.36 90.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.406 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.411 HG21 HD22 ' A' ' 123' ' ' ASN . 73.1 t -64.25 -40.29 88.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.957 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -62.48 -36.11 81.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.963 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -92.77 -61.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.981 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.488 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.44 146.06 36.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.822 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -83.91 113.93 3.81 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 79' ' ' LEU . 41.4 tp -103.68 131.27 51.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.752 0.31 . . . . 0.0 110.675 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.5 ' OG1' HG12 ' A' ' 82' ' ' VAL . 51.0 p -121.39 166.5 14.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.722 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.747 ' OD1' HD21 ' A' ' 122' ' ' LEU . 95.2 m-20 -56.77 -36.62 70.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.877 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.5 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.6 p -51.62 -40.14 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.543 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.461 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 77.3 m80 -59.14 -41.33 88.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.959 0.409 . . . . 0.0 110.264 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -58.05 -44.58 87.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.542 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -63.28 -33.99 76.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.941 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.0 -61.3 2.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.42 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.2 tt -62.82 -31.5 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.551 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.38 -41.8 84.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.553 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.65 -36.94 82.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.535 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.42 -37.77 76.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.622 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.2 tp -61.28 -39.36 90.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.441 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.507 HG13 HG21 ' A' ' 105' ' ' ILE . 71.3 t -62.94 -43.61 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.8 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.49 -36.63 84.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.732 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.2 m -59.11 -41.95 89.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.852 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.76 HD12 HG23 ' A' ' 105' ' ' ILE . 77.8 mt -63.03 -36.02 82.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -59.99 -36.73 77.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.495 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.59 -31.06 72.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.499 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.417 ' HB2' HG23 ' A' ' 100' ' ' VAL . 57.2 mt -81.03 0.87 33.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.7 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 47.6 t30 61.92 49.93 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.562 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 98' ' ' LEU . 47.2 t -103.14 138.37 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.0 t -54.31 140.78 32.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.588 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.491 ' HA ' HD12 ' A' ' 105' ' ' ILE . 58.8 tp60 -58.46 -36.87 74.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.1 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -55.84 -42.75 76.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.815 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.21 -37.53 83.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.398 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.76 HG23 HD12 ' A' ' 95' ' ' LEU . 80.4 mt -61.73 -39.8 84.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.646 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -58.31 -38.75 77.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.801 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.16 -36.99 85.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.578 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.78 -41.24 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.507 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 113' ' ' GLY . 75.9 t -62.23 -40.42 87.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.678 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.5 m -58.21 -40.44 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.5 mt -57.03 -50.78 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.612 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.08 -21.97 8.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.481 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -73.28 64.59 1.68 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.0 m -116.37 140.72 49.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.837 0.351 . . . . 0.0 110.405 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.685 HG12 ' ND2' ' A' ' 119' ' ' ASN . 69.5 t -66.87 -41.23 87.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.056 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.64 -43.89 89.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.144 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -63.8 -47.39 81.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 110.375 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.589 ' HE ' ' CG ' ' A' ' 81' ' ' ASP . 73.9 ttt180 -61.25 -42.09 98.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.603 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.685 ' ND2' HG12 ' A' ' 115' ' ' VAL . 86.9 m-20 -60.52 -36.1 77.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.496 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 91.1 m-20 -59.13 -39.02 81.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.68 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.9 t -63.29 -44.07 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.482 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.747 HD21 ' OD1' ' A' ' 81' ' ' ASP . 89.7 mt -65.41 -31.67 72.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.496 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 83.3 m-20 59.28 43.56 16.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.173 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.531 -179.943 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' HEB . . . . . 0.756 HBB2 HMB1 ' A' ' 125' ' ' HEB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -120.05 147.8 44.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.619 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.628 HD13 ' CG ' ' A' ' 55' ' ' PHE . 44.5 tp -57.95 -36.08 72.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.636 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -59.14 -40.41 85.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.811 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.44 -37.75 85.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.035 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -64.26 -54.38 34.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.92 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.601 HD12 HG22 ' A' ' 14' ' ' VAL . 74.0 mt -71.65 -37.82 70.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.742 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.23 8.74 74.44 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.36 124.05 1.2 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.92 -35.33 80.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.719 0.295 . . . . 0.0 110.798 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.06 -33.61 74.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.497 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.76 -29.68 70.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.757 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.601 HG22 HD12 ' A' ' 8' ' ' LEU . 94.3 t -59.61 -44.99 94.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.765 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.06 -41.07 97.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.797 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.33 -40.83 98.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.69 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.01 -39.8 79.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.684 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 14' ' ' VAL . 73.1 t -64.09 -39.92 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.45 -38.75 78.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.852 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -61.14 -42.85 99.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.852 0.358 . . . . 0.0 110.479 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -65.63 -43.91 88.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.67 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -58.09 -41.37 83.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.83 -45.84 90.93 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -62.82 -37.35 86.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.523 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.9 t -62.53 -42.61 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.536 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.6 tp -59.98 -37.52 79.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.501 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.81 84.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -85.21 103.11 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.94 0.4 . . . . 0.0 110.76 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.17 -27.04 61.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 -53.97 -41.92 68.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.456 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.4 m -79.97 -29.92 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.78 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -57.69 -31.0 65.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.022 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.695 ' O ' HG13 ' A' ' 36' ' ' VAL . 84.6 mtm180 -54.18 -39.27 66.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.898 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -70.5 -29.6 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.321 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -88.02 10.48 18.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.586 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 33' ' ' ARG . 32.9 m -63.01 -34.1 64.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.497 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -86.61 4.15 41.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.4 m -124.49 140.95 52.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.477 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 42' ' ' LYS . 48.2 p30 -75.21 160.43 30.4 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.465 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mtp -61.44 -36.3 79.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.55 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.85 -57.06 12.15 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.897 -0.321 . . . . 0.0 111.086 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.464 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 78.9 tttt -60.81 -34.36 74.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.915 0.388 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.589 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.3 tt0 -54.77 -41.24 70.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.894 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -59.24 -36.43 75.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.94 0.4 . . . . 0.0 110.604 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -59.42 -40.31 86.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.764 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -60.73 -46.39 90.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -61.29 -37.54 83.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.686 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -60.07 -48.62 80.94 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.289 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -66.74 -39.1 87.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.413 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD1' HBB3 ' A' ' 125' ' ' HEB . 63.6 t80 -60.92 -48.47 81.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.831 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.504 ' SD ' HG22 ' A' ' 18' ' ' VAL . 23.2 ttt -63.11 -40.46 97.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.786 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.642 HG22 ' HA3' ' A' ' 57' ' ' GLY . 40.5 m -61.92 -39.67 92.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.641 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -59.46 -36.55 76.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.807 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.65 ' O ' HG21 ' A' ' 111' ' ' ILE . . . -56.93 -29.89 63.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.717 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.628 ' CG ' HD13 ' A' ' 4' ' ' LEU . 94.7 m-85 -91.68 7.25 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.761 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.602 ' O ' ' N ' ' A' ' 58' ' ' THR . . . 89.95 18.84 49.45 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.642 ' HA3' HG22 ' A' ' 52' ' ' THR . . . -56.88 73.15 0.01 OUTLIER Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.602 ' N ' ' O ' ' A' ' 56' ' ' GLY . 60.6 p -106.23 18.08 22.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.765 0.317 . . . . 0.0 110.513 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -54.88 -38.79 67.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.033 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.0 mtm-85 -146.82 83.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.498 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 12.9 m-85 -134.98 79.26 51.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.687 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -53.06 140.05 60.67 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.709 2.272 . . . . 0.0 112.116 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -89.27 -174.52 46.32 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER 34.83 77.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.685 0.278 . . . . 0.0 110.797 179.832 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 p 168.09 -35.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.656 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.6 mmt -59.38 -37.01 76.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.807 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.568 ' NH2' ' OD1' ' A' ' 120' ' ' ASP . 78.8 mtt85 -59.59 -38.95 82.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.701 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.68 83.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.689 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.56 83.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.715 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -95.43 -17.1 21.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' ARG . 1.7 tt0 -58.75 -38.92 79.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.788 0.328 . . . . 0.0 110.637 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.57 -38.95 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.613 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.722 HD11 HMD2 ' A' ' 125' ' ' HEB . 76.1 mt -60.47 -40.61 91.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.69 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.74 -42.63 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.83 -35.73 82.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -89.75 -60.96 1.8 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.944 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.48 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -108.16 146.32 32.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.773 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.0 120.81 5.31 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.6 tp -104.31 132.44 50.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.814 0.34 . . . . 0.0 110.589 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.436 ' OG1' ' ND1' ' A' ' 83' ' ' HIS . 62.3 p -120.0 162.09 19.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.609 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -58.81 -38.72 79.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.831 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.415 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.9 p -57.26 -37.69 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.98 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.436 ' ND1' ' OG1' ' A' ' 80' ' ' THR . 38.8 m80 -58.2 -44.95 88.37 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.638 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -61.14 -45.56 94.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.994 0.426 . . . . 0.0 110.275 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -64.52 -34.05 77.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.85 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.98 -60.18 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.452 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.0 tt -62.91 -26.51 41.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.645 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.69 -40.7 95.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.69 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.14 -36.01 82.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.638 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -56.86 -38.65 73.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.413 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.6 tp -62.51 -39.64 94.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.429 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.99 -43.28 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.755 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.31 -36.19 81.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.755 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.7 m -58.05 -42.31 85.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.603 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.67 HD12 HG23 ' A' ' 105' ' ' ILE . 73.7 mt -64.74 -35.24 80.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.654 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.611 ' NE2' ' CD1' ' A' ' 105' ' ' ILE . 99.5 mm-40 -59.66 -37.89 79.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.494 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.31 -31.77 73.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.513 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.463 ' HB2' HG23 ' A' ' 100' ' ' VAL . 57.5 mt -80.26 -2.03 43.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.63 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 60.56 50.25 5.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.52 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.463 HG23 ' HB2' ' A' ' 98' ' ' LEU . 47.0 t -101.57 139.28 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.472 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.5 t -54.03 140.51 31.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.643 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.635 ' NE2' HD12 ' A' ' 105' ' ' ILE . 1.8 tp-100 -59.21 -36.33 75.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.091 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -55.28 -42.8 74.05 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.862 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.05 -37.14 83.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.356 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.67 HG23 HD12 ' A' ' 95' ' ' LEU . 84.0 mt -61.14 -39.93 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.708 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.27 -39.85 80.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.509 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.44 -37.4 85.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.559 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.14 -39.38 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.669 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.579 ' O ' ' N ' ' A' ' 113' ' ' GLY . 73.8 t -59.68 -40.85 83.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.685 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.6 m -59.04 -41.19 87.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.918 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.65 HG21 ' O ' ' A' ' 54' ' ' ALA . 83.4 mt -59.25 -51.44 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.811 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.7 m -82.93 -19.69 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.557 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -74.06 13.35 4.52 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.0 m -58.33 135.14 57.11 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.364 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 73.3 t -69.48 -40.93 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.124 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -57.56 -43.89 84.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.147 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -63.8 -45.6 88.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.486 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -58.7 -42.79 89.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.43 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 123' ' ' ASN . 86.7 m-20 -61.25 -39.7 91.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.515 179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.568 ' OD1' ' NH2' ' A' ' 67' ' ' ARG . 89.5 m-20 -63.81 -43.33 96.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.769 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.99 -44.75 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.656 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 67.5 mt -81.67 -12.55 58.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.612 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.496 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 84.0 m-20 58.09 43.47 20.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.232 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 123' ' ' ASN . 82.1 mtm180 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.623 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' HEB . . . . . 0.722 HMD2 HD11 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p -124.64 156.03 38.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.545 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.626 HD21 HG11 ' A' ' 14' ' ' VAL . 43.3 tp -55.49 -40.93 72.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.388 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 9' ' ' GLY . 63.8 t80 -61.59 -43.58 98.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.698 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -65.45 -33.91 77.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.31 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -57.89 -54.47 46.52 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.879 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.008 HD12 HG22 ' A' ' 14' ' ' VAL . 62.1 mt -92.27 -34.12 14.37 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.605 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 5' ' ' TYR . . . 90.25 8.26 66.65 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.703 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -150.34 109.47 0.43 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.527 ' HB2' ' HD2' ' A' ' 5' ' ' TYR . . . -65.47 -37.78 87.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.791 0.329 . . . . 0.0 110.775 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.94 -42.68 97.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.803 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.35 -34.58 78.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.402 . . . . 0.0 110.594 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.008 HG22 HD12 ' A' ' 8' ' ' LEU . 97.2 t -61.84 -40.85 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.563 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.27 -39.97 80.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.196 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.45 -43.19 83.75 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.775 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.62 -36.87 83.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.91 0.386 . . . . 0.0 110.552 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.53 -41.37 92.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.15 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -62.12 -38.84 90.48 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.985 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -61.61 -41.65 97.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.891 0.377 . . . . 0.0 110.389 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.404 ' O ' HG23 ' A' ' 25' ' ' VAL . 74.6 t80 -65.36 -43.79 89.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.798 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -58.11 -43.15 86.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.43 -44.68 96.47 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -62.11 -38.83 90.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.937 0.398 . . . . 0.0 110.514 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 21' ' ' PHE . 72.3 t -60.73 -40.26 84.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.698 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -59.48 -35.26 73.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.433 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.86 -36.67 81.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.82 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -84.78 103.92 14.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.973 0.416 . . . . 0.0 110.757 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -72.79 -28.66 62.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.289 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -54.05 -42.03 68.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.47 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.5 m -80.07 -31.1 13.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.742 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -56.93 -31.57 65.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.988 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -54.76 -40.15 69.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.919 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -70.92 -29.32 65.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.204 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.486 ' O ' ' O ' ' A' ' 38' ' ' THR . 89.7 m-85 -88.1 5.47 40.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.51 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 51.3 t -57.95 -44.52 86.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.372 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -61.16 -34.48 75.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.526 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.486 ' O ' ' O ' ' A' ' 35' ' ' PHE . 58.9 m -94.91 141.7 28.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.774 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 50.2 p30 -72.86 162.44 29.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.555 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.3 mtt -61.04 -34.9 75.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.356 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.02 -57.03 14.6 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.971 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -62.11 -33.81 75.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.48 ' O ' ' OE1' ' A' ' 47' ' ' GLN . 7.3 tt0 -54.79 -39.88 68.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -59.45 -39.68 84.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.579 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -61.92 -40.7 96.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.739 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.454 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 54.8 t-80 -61.13 -45.41 94.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.614 ' N ' ' OE1' ' A' ' 47' ' ' GLN . 2.4 mp0 -61.02 -37.66 83.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.473 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -60.71 -47.8 84.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.374 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.24 -40.68 90.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.451 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.46 ' CD1' HBB3 ' A' ' 125' ' ' HEB . 66.6 t80 -61.32 -45.99 92.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.684 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.0 tpt -61.21 -39.6 90.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.733 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.3 m -61.77 -40.26 94.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.763 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -59.75 -36.48 76.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.688 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.79 -29.67 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.671 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -89.12 7.68 33.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.857 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.638 ' O ' HG23 ' A' ' 58' ' ' THR . . . 94.67 19.19 32.69 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.451 ' O ' ' CE1' ' A' ' 61' ' ' PHE . . . -54.02 76.41 0.01 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 56' ' ' GLY . 53.0 p -107.88 27.03 9.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.751 0.31 . . . . 0.0 110.527 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -52.69 -37.6 59.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.722 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.1 ttp180 -168.86 80.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.451 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 52.9 m-85 -129.95 75.76 79.08 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.491 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -55.09 -35.11 89.72 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.681 2.254 . . . . 0.0 112.085 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.82 6.76 82.24 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 42.8 mmm-85 -97.66 -68.78 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.732 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.3 m -58.67 -33.02 69.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.751 ' SD ' HMA2 ' A' ' 125' ' ' HEB . 23.8 mmt -56.83 -36.55 70.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.794 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -59.46 -37.48 78.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.676 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.85 -36.42 84.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.481 ' HB1' HBD1 ' A' ' 125' ' ' HEB . . . -63.62 -37.52 87.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.657 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -88.87 -18.66 27.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.549 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -58.78 -37.27 75.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -56.95 -40.57 76.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.745 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.878 HD11 HMD2 ' A' ' 125' ' ' HEB . 75.0 mt -63.73 -37.29 86.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.565 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.5 t -64.54 -37.97 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.0 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -59.94 -37.82 80.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.966 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -111.89 -61.16 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.374 . . . . 0.0 110.92 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . -74.73 147.15 41.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -101.11 86.78 0.63 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.8 tp -100.27 130.55 46.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 110.517 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.497 ' OG1' HG12 ' A' ' 82' ' ' VAL . 39.9 p -124.08 169.3 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.543 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.777 ' OD1' HD21 ' A' ' 122' ' ' LEU . 95.5 m-20 -53.56 -36.33 61.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.657 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.497 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.4 p -53.43 -39.64 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.934 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.455 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 74.4 m80 -58.33 -41.69 85.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.497 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -57.66 -43.43 84.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.256 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.82 -35.22 79.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.798 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.75 -61.16 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.281 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.5 tt -62.84 -26.18 40.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.685 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.2 99.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.687 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.01 -36.4 84.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.712 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -58.77 -38.14 77.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.446 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.78 -39.53 91.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.373 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.506 HG13 HG21 ' A' ' 105' ' ' ILE . 71.3 t -63.76 -44.08 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.614 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.3 mt -63.42 -36.11 82.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.674 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.6 m -58.67 -42.08 87.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.17 -35.61 81.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.593 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -59.47 -36.89 76.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.481 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.66 -31.59 72.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.463 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.462 ' HB2' HG23 ' A' ' 100' ' ' VAL . 59.0 mt -80.91 -0.77 40.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.705 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 61.05 50.38 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.534 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 98' ' ' LEU . 44.0 t -102.41 139.55 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.457 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.4 t -54.36 141.5 30.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.815 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 105' ' ' ILE . 65.5 tp60 -59.3 -35.12 73.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.137 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -54.12 -41.9 68.88 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.742 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.42 HD12 ' CG1' ' A' ' 100' ' ' VAL . 78.4 mt -65.56 -37.24 86.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.237 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.506 HG21 HG13 ' A' ' 92' ' ' VAL . 82.4 mt -61.26 -38.93 80.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.683 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -58.02 -40.66 81.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.492 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.55 -36.93 85.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.436 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.2 t -65.16 -39.19 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.673 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.573 ' O ' ' N ' ' A' ' 113' ' ' GLY . 73.2 t -59.69 -41.26 84.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.1 m -59.86 -41.54 91.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.8 mt -59.91 -51.48 72.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.811 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 20.7 m -82.21 -20.59 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.637 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -76.41 9.97 18.77 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.7 m -59.64 135.54 57.71 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.395 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 72.9 t -70.07 -40.51 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.135 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -57.56 -43.08 84.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -62.38 -44.99 95.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.375 . . . . 0.0 110.537 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.436 HH21 ' HB3' ' A' ' 81' ' ' ASP . 62.6 ttt180 -58.66 -41.07 85.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.481 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -60.51 -36.25 77.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.933 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.486 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.3 m-20 -58.48 -38.42 77.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.837 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.16 -43.55 96.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.977 0.418 . . . . 0.0 110.511 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.777 HD21 ' OD1' ' A' ' 81' ' ' ASP . 90.4 mt -65.96 -26.64 67.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.801 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.486 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 78.7 m-20 61.49 44.71 9.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.55 -179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.9 mmt85 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.397 179.871 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' HEB . . . . . 0.878 HMD2 HD11 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -119.32 148.51 43.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.0 tp -57.07 -37.84 72.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.686 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -62.25 -41.93 98.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.93 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.62 -34.32 77.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.266 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -58.4 -48.07 81.83 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.639 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.2 mt -71.0 -31.44 67.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.549 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.4 2.49 57.75 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.0 115.51 0.59 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.02 -34.41 77.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.672 0.272 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.43 -30.75 71.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.597 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.43 -29.53 70.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.499 ' O ' HG23 ' A' ' 18' ' ' VAL . 53.5 t -58.43 -44.87 89.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.866 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -60.66 -43.37 97.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.786 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.588 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 2.3 mm? -68.94 -38.57 79.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.798 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.74 96.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.697 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 14' ' ' VAL . 73.1 t -64.9 -39.71 86.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.651 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.05 -39.94 87.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.988 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -61.09 -44.02 97.99 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.645 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.22 -43.67 86.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.201 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -59.5 -41.62 90.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.61 -41.59 82.35 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -61.13 -38.65 87.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.429 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.51 -42.55 95.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.614 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.38 -37.58 81.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.52 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.66 91.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.991 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -87.59 106.0 17.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.034 0.445 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -72.83 -27.32 61.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.123 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.5 mtm-85 -55.04 -42.1 72.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.764 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.8 m -78.56 -30.93 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -56.95 -33.52 67.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.694 ' O ' HG13 ' A' ' 36' ' ' VAL . 83.6 mtp180 -56.31 -38.24 71.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.143 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -69.66 -31.09 68.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.45 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -85.01 9.82 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.381 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 33' ' ' ARG . 33.9 m -64.53 -32.55 58.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.46 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -84.26 0.63 48.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.388 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.0 m -126.49 141.27 51.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.321 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 23.9 p-10 -73.13 159.27 33.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.57 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 68.8 mtm -59.89 -34.34 73.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.127 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.49 -58.13 9.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.061 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -62.43 -33.76 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 110.622 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.591 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.3 tt0 -54.2 -41.79 69.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.82 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -59.57 -37.0 77.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.692 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -59.11 -39.24 81.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.845 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.443 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 47.9 t-80 -59.94 -45.06 93.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.591 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.4 OUTLIER -59.04 -38.84 80.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.41 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -62.73 -48.06 80.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.387 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -66.43 -41.05 89.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.797 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.561 ' CE1' HBB3 ' A' ' 125' ' ' HEB . 64.7 t80 -61.86 -51.15 69.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.76 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.3 ttp -62.42 -37.81 87.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.294 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -62.17 -37.92 87.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.639 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -57.52 -37.61 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.966 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.05 -33.08 66.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.871 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -76.28 -5.4 46.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.677 ' O ' HG23 ' A' ' 58' ' ' THR . . . 96.5 10.34 55.73 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.25 77.68 0.01 OUTLIER Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 56' ' ' GLY . 71.7 p -103.38 16.4 26.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.59 0.233 . . . . 0.0 110.989 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -53.43 -38.26 63.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.278 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -159.57 82.56 0.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.294 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.612 ' H ' ' HD2' ' A' ' 62' ' ' PRO . 10.4 m-85 -135.26 -63.65 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.516 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.612 ' HD2' ' H ' ' A' ' 61' ' ' PHE . 3.7 Cg_endo -49.63 -13.91 0.59 Allowed 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.946 1.764 . . . . 0.0 111.58 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.72 -172.81 49.24 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.559 -1.017 . . . . 0.0 110.559 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' SER . 94.1 mtt-85 50.17 23.22 1.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.746 0.308 . . . . 0.0 110.285 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' ARG . 2.0 m 34.81 88.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.799 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.1 mmt -59.82 -34.46 73.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.507 ' NH2' ' OD1' ' A' ' 120' ' ' ASP . 77.9 mtt85 -55.74 -39.51 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.791 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.2 90.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.37 80.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -92.01 -17.98 24.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.785 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -59.92 -38.98 83.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.682 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -57.84 -39.44 77.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.827 HD11 HMD2 ' A' ' 125' ' ' HEB . 68.9 mt -62.57 -39.71 94.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.613 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.0 t -65.37 -41.91 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.89 -36.41 83.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.856 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -89.08 -61.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.489 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.4 146.61 35.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.705 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.86 126.65 8.07 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.4 HD21 ' CG1' ' A' ' 121' ' ' VAL . 36.2 tp -104.59 132.71 50.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 0.0 110.679 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.56 ' HG1' ' CE1' ' A' ' 83' ' ' HIS . 72.6 p -120.86 161.43 21.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.535 ' CG ' ' NH2' ' A' ' 118' ' ' ARG . 82.9 m-20 -60.53 -36.89 79.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.003 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.492 HG12 ' OG1' ' A' ' 80' ' ' THR . 3.7 p -52.77 -36.96 24.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.0 -178.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.56 ' CE1' ' HG1' ' A' ' 80' ' ' THR . 78.7 m80 -57.47 -45.06 85.24 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.516 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -62.79 -45.04 94.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.627 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.28 -37.52 80.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.963 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.13 -59.01 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.133 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.2 tt -62.88 -32.69 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.768 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.85 -43.93 74.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.626 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.63 -37.33 85.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.713 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -58.09 -38.05 75.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.735 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.73 -39.96 93.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.677 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.88 -43.35 97.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.581 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.2 mt -64.16 -36.59 84.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.756 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.2 m -58.85 -42.57 89.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.798 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.67 -36.14 82.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.529 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.5 -37.05 79.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.494 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.86 -31.26 72.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.499 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.447 ' HB2' HG23 ' A' ' 100' ' ' VAL . 57.9 mt -81.3 0.35 37.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.696 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 61.89 51.06 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.574 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 98' ' ' LEU . 46.7 t -100.9 138.5 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.432 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.7 t -54.76 140.03 37.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.678 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.485 ' HA ' HD12 ' A' ' 105' ' ' ILE . 68.0 tp60 -59.13 -36.69 75.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.206 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.31 -42.92 74.35 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.683 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.31 -37.23 83.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.915 0.388 . . . . 0.0 110.312 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 102' ' ' GLN . 80.4 mt -62.5 -39.1 83.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.753 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -57.9 -41.51 82.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.23 -37.87 86.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.4 . . . . 0.0 110.364 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.77 -39.38 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.684 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.567 ' O ' ' N ' ' A' ' 113' ' ' GLY . 79.5 t -60.1 -41.62 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.789 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.6 m -60.36 -41.27 93.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.768 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.4 mt -59.31 -52.0 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.919 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.8 m -81.64 -23.2 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.627 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -87.28 12.62 62.08 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.9 m -58.93 143.78 46.85 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.424 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.439 HG12 ' ND2' ' A' ' 119' ' ' ASN . 71.3 t -67.05 -41.8 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.8 -44.42 93.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.184 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -65.27 -46.93 78.49 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.677 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.535 ' NH2' ' CG ' ' A' ' 81' ' ' ASP . 75.5 ttt-85 -58.95 -43.57 91.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.457 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.439 ' ND2' HG12 ' A' ' 115' ' ' VAL . 86.7 m-20 -63.37 -37.17 86.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.674 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.507 ' OD1' ' NH2' ' A' ' 67' ' ' ARG . 89.8 m-20 -59.47 -39.27 83.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.705 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.4 ' CG1' HD21 ' A' ' 79' ' ' LEU . 76.2 t -62.37 -42.65 96.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.359 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.401 HD11 ' OD1' ' A' ' 81' ' ' ASP . 78.7 mt -81.25 -11.7 59.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.579 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 59.14 40.39 21.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.292 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.484 179.92 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' HEB . . . . . 0.827 HMD2 HD11 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -130.18 158.6 39.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.543 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.9 tp -56.23 -36.52 68.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.561 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -60.23 -39.64 87.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.047 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.11 -36.98 84.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.368 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -63.27 -54.11 42.29 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.943 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.536 HD12 HG22 ' A' ' 14' ' ' VAL . 76.5 mt -70.41 -37.73 74.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.772 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.91 15.13 75.92 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.52 110.19 0.4 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.06 -34.31 78.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.59 -35.53 78.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.604 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.46 -31.55 72.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 18' ' ' VAL . 84.8 t -60.79 -43.72 95.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.836 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -59.55 -41.25 89.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.5 tp -63.59 -42.52 98.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.662 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.59 -40.69 73.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.785 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 14' ' ' VAL . 72.1 t -64.51 -40.05 87.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.087 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -59.49 -41.46 89.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.895 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -62.82 -43.32 99.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.592 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -64.17 -42.77 96.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.946 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -57.97 -42.08 84.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.764 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.88 -45.1 94.01 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -61.99 -40.59 96.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.87 0.366 . . . . 0.0 110.213 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.02 -41.17 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.4 tp -58.57 -36.64 74.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.388 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.0 76.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.934 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -83.87 103.22 12.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.997 0.427 . . . . 0.0 110.793 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -72.14 -28.5 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.177 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -53.77 -41.84 67.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.827 -178.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.3 m -79.2 -30.55 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -57.25 -31.67 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.555 ' O ' HG23 ' A' ' 36' ' ' VAL . 72.9 mtp85 -53.77 -40.43 66.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.082 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -69.27 -32.18 71.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.204 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -86.01 9.33 17.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.407 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 33' ' ' ARG . 53.5 t -57.31 -38.47 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.435 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -85.47 6.13 28.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.43 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.4 m -120.48 141.64 50.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.433 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 50.6 p30 -76.6 162.67 27.57 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.744 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.7 mtt -61.76 -35.66 78.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.314 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.49 -58.51 7.34 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.152 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -60.24 -34.22 73.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.904 0.383 . . . . 0.0 110.515 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.584 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.1 tt0 -54.48 -41.92 70.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.022 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -61.28 -36.55 80.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.575 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -61.16 -40.88 95.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.43 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 51.4 t-80 -60.79 -46.56 90.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.806 0.336 . . . . 0.0 110.807 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.584 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.5 OUTLIER -60.94 -37.82 83.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.794 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -60.25 -46.84 88.41 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.327 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -66.47 -38.52 87.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.478 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.56 ' CD1' HBB3 ' A' ' 125' ' ' HEB . 64.7 t80 -60.35 -47.56 85.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.052 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.5 ttt -64.7 -41.26 96.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.176 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.627 HG22 ' HA3' ' A' ' 57' ' ' GLY . 47.8 m -60.13 -43.92 95.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.97 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -63.22 -36.75 84.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.797 ' O ' HG21 ' A' ' 111' ' ' ILE . . . -59.56 -32.69 70.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -87.38 10.34 17.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.442 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.592 ' O ' ' N ' ' A' ' 58' ' ' THR . . . 87.34 24.23 37.5 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.627 ' HA3' HG22 ' A' ' 52' ' ' THR . . . -58.53 69.89 0.01 OUTLIER Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.592 ' N ' ' O ' ' A' ' 56' ' ' GLY . 44.2 p -109.08 29.78 7.18 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.412 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 23.2 p-10 -52.03 -53.25 44.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.727 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 33.4 ptt180 179.48 54.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.173 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -51.39 154.32 3.13 Favored Pre-proline 0 C--N 1.328 -0.327 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.206 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -52.55 148.35 27.37 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.772 2.315 . . . . 0.0 112.331 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.89 -144.39 0.43 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 67.6 -130.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.1 p -148.34 133.03 17.85 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.952 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 mmt -64.15 -33.65 76.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.31 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.605 HH12 ' C ' ' A' ' 124' ' ' ARG . 86.2 mtt180 -56.53 -38.62 72.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.929 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.47 83.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.711 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.3 -35.34 80.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -97.19 -12.29 23.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.099 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' ARG . 50.8 tt0 -58.46 -37.97 76.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 110.766 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -57.91 -39.81 78.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.712 HD11 HMD2 ' A' ' 125' ' ' HEB . 59.2 mt -60.99 -40.51 93.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.881 -179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.0 t -61.96 -40.0 85.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.058 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.3 -36.9 81.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.823 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -95.24 -61.81 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.348 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.76 143.76 40.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 111.199 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.85 119.22 5.19 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.434 -1.066 . . . . 0.0 110.434 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.419 ' CD2' HG13 ' A' ' 121' ' ' VAL . 40.1 tp -106.27 130.89 54.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.773 0.32 . . . . 0.0 110.773 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.526 ' OG1' HG12 ' A' ' 82' ' ' VAL . 30.8 p -125.14 164.67 19.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.663 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.849 ' OD2' HD11 ' A' ' 122' ' ' LEU . 95.5 m-20 -57.54 -34.91 69.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.196 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.526 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.8 p -51.13 -38.46 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.824 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.416 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 68.1 m80 -57.91 -41.41 82.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.9 0.381 . . . . 0.0 110.364 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -58.95 -43.87 91.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.574 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -59.67 -36.69 76.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.187 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.7 -59.01 4.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.494 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.2 tt -62.84 -32.72 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.787 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.21 -40.99 90.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.97 0.415 . . . . 0.0 110.359 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.37 -36.38 82.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.548 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -57.05 -39.05 74.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.532 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.33 -39.63 91.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.321 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.511 HG13 HG21 ' A' ' 105' ' ' ILE . 77.0 t -64.28 -42.84 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.629 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.4 mt -64.34 -36.21 83.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.1 m -58.48 -42.03 86.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.8 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.3 mt -62.9 -36.04 82.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.583 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -60.72 -36.37 78.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.57 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.93 -32.64 73.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.508 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.459 ' HB2' HG23 ' A' ' 100' ' ' VAL . 57.5 mt -83.72 -0.34 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.739 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.4 t30 60.39 51.23 5.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.617 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.572 ' CG1' HD12 ' A' ' 104' ' ' LEU . 43.5 t -100.16 140.4 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.352 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.9 t -52.7 141.87 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.697 ' NE2' HD12 ' A' ' 105' ' ' ILE . 2.3 tp-100 -59.12 -35.68 73.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.141 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -53.62 -41.35 66.59 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.729 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.572 HD12 ' CG1' ' A' ' 100' ' ' VAL . 77.5 mt -65.84 -37.41 86.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.904 0.383 . . . . 0.0 110.328 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.697 HD12 ' NE2' ' A' ' 102' ' ' GLN . 87.1 mt -60.68 -39.65 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.693 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -59.11 -40.16 84.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.627 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.88 -38.28 90.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.441 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 72.2 t -64.93 -40.15 88.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.678 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 77.8 t -61.55 -41.29 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.89 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 52.5 m -59.49 -40.74 87.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.394 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.797 HG21 ' O ' ' A' ' 54' ' ' ALA . 85.1 mt -58.86 -49.68 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.834 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.534 ' C ' ' H ' ' A' ' 114' ' ' SER . 14.0 m -80.83 -20.14 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.563 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.99 7.04 0.3 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.534 ' H ' ' C ' ' A' ' 112' ' ' VAL . 49.0 m -59.57 131.36 50.71 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.434 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.437 HG12 HD21 ' A' ' 119' ' ' ASN . 73.6 t -70.32 -40.94 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -58.06 -42.57 85.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.428 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -63.1 -46.28 88.1 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.477 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -59.96 -41.64 92.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.402 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.437 HD21 HG12 ' A' ' 115' ' ' VAL . 85.1 m-20 -59.79 -36.41 76.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.704 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.505 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 91.0 m-20 -58.44 -37.13 74.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.521 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.419 HG13 ' CD2' ' A' ' 79' ' ' LEU . 58.0 t -60.94 -43.16 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.353 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.849 HD11 ' OD2' ' A' ' 81' ' ' ASP . 77.5 mt -77.36 -15.96 59.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.737 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.505 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 88.8 m-20 60.6 48.0 7.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.894 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.605 ' C ' HH12 ' A' ' 67' ' ' ARG . 16.3 mtp180 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.205 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' HEB . . . . . 0.712 HMD2 HD11 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -119.63 147.81 44.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.489 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 44.1 tp -56.68 -39.42 73.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.436 ' HE1' ' HB2' ' A' ' 11' ' ' ALA . 78.7 t80 -59.67 -43.3 94.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.745 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.6 -38.2 89.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -62.57 -50.5 71.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.036 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.428 ' CD1' HG22 ' A' ' 14' ' ' VAL . 79.3 mt -72.29 -40.85 67.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.762 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.37 17.94 79.57 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.23 116.59 0.62 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.436 ' HB2' ' HE1' ' A' ' 5' ' ' TYR . . . -66.68 -35.77 80.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.798 0.332 . . . . 0.0 110.827 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.1 -34.32 76.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.78 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.54 -29.72 70.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG22 ' CD1' ' A' ' 8' ' ' LEU . 86.6 t -60.37 -43.95 94.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.885 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -61.06 -43.2 99.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.753 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 2.9 mm? -68.33 -37.65 80.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.7 94.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.449 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.22 -40.52 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.707 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -62.16 -46.43 89.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.171 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -62.84 -40.64 98.07 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.662 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.501 ' O ' HG23 ' A' ' 25' ' ' VAL . 60.1 t80 -63.71 -46.37 85.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.478 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -60.81 -42.22 97.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.87 -46.96 91.8 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.527 ' NZ ' ' OD1' ' A' ' 90' ' ' ASN . 65.0 tttm -62.5 -39.77 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 110.5 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 21' ' ' PHE . 75.9 t -62.07 -40.43 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.429 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.3 tp -59.23 -36.49 75.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.525 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.13 91.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.62 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.519 ' O ' HG22 ' A' ' 31' ' ' VAL . 58.1 t0 -92.02 101.6 14.14 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.528 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.86 -21.58 60.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.47 ' CZ ' ' OD1' ' A' ' 28' ' ' ASP . 90.2 mtm-85 -52.4 -40.3 61.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.208 -179.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 28' ' ' ASP . 19.6 m -78.38 -31.02 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.69 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -58.73 -31.52 68.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -54.66 -39.36 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.881 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -68.55 -30.77 69.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.249 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.494 ' O ' ' O ' ' A' ' 38' ' ' THR . 95.3 m-85 -86.16 5.17 35.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.519 -179.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.6 t -57.58 -46.17 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.444 -0.502 . . . . 0.0 110.42 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -62.58 -34.91 77.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.517 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 35' ' ' PHE . 34.7 m -90.5 140.29 29.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.508 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.8 p30 -75.64 167.96 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.551 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.37 -34.34 75.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.194 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.66 -59.27 5.7 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.969 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.74 -32.48 73.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.802 0.334 . . . . 0.0 110.544 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.554 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.2 tt0 -55.47 -44.2 76.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -62.85 -39.25 93.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.83 0.348 . . . . 0.0 110.438 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -61.48 -39.71 91.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.762 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -58.98 -45.24 91.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.568 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.604 ' N ' ' OE1' ' A' ' 47' ' ' GLN . 0.6 OUTLIER -61.31 -38.36 86.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.542 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -61.58 -50.9 70.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.437 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -66.24 -40.02 89.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.669 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.562 ' CE1' HBB3 ' A' ' 125' ' ' HEB . 63.5 t80 -61.6 -49.33 77.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.785 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.7 ttt -64.88 -46.02 83.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.749 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.676 HG22 ' HA3' ' A' ' 57' ' ' GLY . 44.1 m -62.04 -40.83 97.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.705 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -61.03 -37.37 82.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.729 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.34 -32.12 69.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -86.25 5.93 32.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.654 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.737 ' O ' HG23 ' A' ' 58' ' ' THR . . . 93.39 11.45 58.32 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.676 ' HA3' HG22 ' A' ' 52' ' ' THR . . . -56.12 74.43 0.01 OUTLIER Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.737 HG23 ' O ' ' A' ' 56' ' ' GLY . 50.6 p -71.68 -10.55 59.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.864 0.364 . . . . 0.0 110.505 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 60' ' ' ARG . 56.4 t0 -57.31 153.83 11.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.715 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.528 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 84.5 mtt180 58.49 -160.88 0.26 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.673 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.608 ' CD1' ' N ' ' A' ' 61' ' ' PHE . 0.3 OUTLIER 50.42 57.87 17.4 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.447 -179.799 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -64.4 137.62 56.46 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.755 2.303 . . . . 0.0 112.139 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.97 -174.68 55.28 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.592 ' O ' ' N ' ' A' ' 66' ' ' MET . 62.4 ttm-85 -116.02 -98.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.52 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 64' ' ' ARG . 74.7 p 34.99 26.79 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.592 ' N ' ' O ' ' A' ' 64' ' ' ARG . 20.8 mmt -59.97 -35.35 74.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.685 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 71' ' ' GLN . 96.6 mtt180 -57.87 -36.94 73.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.755 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.36 80.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.746 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.64 -36.77 85.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -95.4 -14.24 23.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 67' ' ' ARG . 48.6 tt0 -56.95 -40.45 76.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.804 0.335 . . . . 0.0 110.485 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -59.78 -38.46 81.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.451 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.558 HD11 HMD2 ' A' ' 125' ' ' HEB . 88.8 mt -61.06 -43.3 99.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.825 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.9 t -65.81 -44.03 93.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.01 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.44 -35.09 79.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.645 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -92.04 -60.55 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 73' ' ' LEU . . . -104.82 150.13 25.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.051 0.453 . . . . 0.0 110.902 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.29 114.65 4.44 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -98.78 135.96 39.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.689 0.28 . . . . 0.0 110.326 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.544 ' OG1' ' ND1' ' A' ' 83' ' ' HIS . 43.4 p -115.01 159.26 21.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.574 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -60.74 -37.43 81.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.248 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 p -57.52 -39.2 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.224 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.544 ' ND1' ' OG1' ' A' ' 80' ' ' THR . 40.9 m80 -57.23 -45.03 84.26 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.698 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -61.43 -45.73 93.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.401 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.04 -35.58 80.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.687 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.34 -59.46 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -63.24 -33.06 58.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.656 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.17 -43.46 78.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.967 0.413 . . . . 0.0 110.504 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.02 -37.16 83.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.422 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.527 ' OD1' ' NZ ' ' A' ' 24' ' ' LYS . 87.4 m-20 -57.68 -37.86 74.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.549 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.72 -40.52 92.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.512 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 72.0 t -65.23 -43.56 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.667 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.23 -35.34 80.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.534 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.5 m -57.97 -40.87 81.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.682 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.44 -37.34 83.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.57 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.9 -37.15 81.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.518 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.04 -33.19 75.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.752 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.415 ' HB2' HG23 ' A' ' 100' ' ' VAL . 60.5 mt -84.47 -0.81 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.7 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 49.2 t30 59.61 52.77 5.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.551 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.415 HG23 ' HB2' ' A' ' 98' ' ' LEU . 40.4 t -93.0 137.55 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.32 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.2 t -55.11 142.62 30.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.647 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.424 ' HA ' HD12 ' A' ' 105' ' ' ILE . 57.7 tp60 -57.22 -37.24 71.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.903 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -56.7 -42.86 79.83 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.757 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.5 -38.0 83.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.9 0.381 . . . . 0.0 110.435 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 102' ' ' GLN . 83.6 mt -62.29 -39.36 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.526 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -58.31 -38.68 77.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.645 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.08 -37.78 88.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.416 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.524 ' O ' HG22 ' A' ' 112' ' ' VAL . 75.0 t -65.67 -39.96 86.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.585 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.591 ' O ' ' N ' ' A' ' 113' ' ' GLY . 75.2 t -61.55 -41.46 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.766 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.0 m -62.32 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.707 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.9 mt -62.23 -52.11 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 108' ' ' VAL . 20.4 m -79.02 -23.62 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.897 0.38 . . . . 0.0 110.344 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -56.5 -26.09 51.26 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.2 m -41.3 118.36 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.004 0.43 . . . . 0.0 110.507 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.543 HG12 ' ND2' ' A' ' 119' ' ' ASN . 68.9 t -66.99 -33.78 65.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.023 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -51.53 -44.26 62.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.948 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -65.34 -45.75 82.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.576 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -58.81 -43.7 90.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.514 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.543 ' ND2' HG12 ' A' ' 115' ' ' VAL . 86.3 m-20 -63.79 -37.85 88.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.455 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 93.2 m-20 -59.62 -39.73 85.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.787 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.95 -43.68 99.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.397 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.1 mt -75.08 -16.32 60.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.511 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 76.3 m-20 60.49 44.46 11.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.547 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 65.4 mtp85 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.561 179.845 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' HEB . . . . . 0.579 HBB2 HMB1 ' A' ' 125' ' ' HEB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -118.02 140.09 50.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.547 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.435 HD22 HG23 ' A' ' 52' ' ' THR . 40.0 tp -59.33 -37.93 79.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.632 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -62.39 -43.47 98.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.723 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -67.62 -36.76 81.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -59.82 -53.67 55.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.998 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.0 mt -71.73 -37.65 70.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.757 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.01 3.62 69.99 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.82 109.35 0.39 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.54 -34.23 77.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.708 0.29 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.67 -33.79 75.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.796 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.56 -30.31 71.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.539 ' O ' HG23 ' A' ' 18' ' ' VAL . 75.8 t -60.08 -42.22 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.901 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -59.41 -43.53 93.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.955 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.583 HD12 ' N ' ' A' ' 16' ' ' LEU . 7.7 mp -70.93 -40.72 71.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.719 0.295 . . . . 0.0 110.847 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.93 -41.94 90.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.642 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 14' ' ' VAL . 70.4 t -66.69 -38.2 81.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.978 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -56.88 -42.31 79.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.998 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -63.69 -42.31 98.03 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.574 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -63.33 -43.05 98.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.657 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -57.41 -41.49 80.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.04 -44.87 92.86 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -62.52 -41.4 98.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.466 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.17 -45.08 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.505 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tt -63.93 -35.85 82.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.487 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.58 -35.95 81.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.906 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -85.93 108.67 18.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.852 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -73.27 -26.33 61.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.006 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -54.78 -41.94 71.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.445 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.9 m -80.73 -30.08 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.779 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -56.45 -30.53 62.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.515 ' O ' HG23 ' A' ' 36' ' ' VAL . 82.3 mtm180 -53.51 -39.67 64.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.693 -179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -70.9 -30.5 66.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -87.15 9.71 19.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.24 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 33' ' ' ARG . 54.4 t -58.01 -41.83 81.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.469 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -86.89 5.84 34.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.49 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.7 m -120.47 141.42 50.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.582 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.8 p30 -82.48 163.95 21.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.764 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.402 ' HA ' HE21 ' A' ' 43' ' ' GLN . 65.0 mtt -62.38 -35.3 78.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.177 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.45 -59.19 5.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.77 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -62.34 -33.43 74.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.382 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.468 ' HG2' HE21 ' A' ' 47' ' ' GLN . 7.5 tt0 -53.74 -42.06 67.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.79 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -62.72 -38.1 89.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -59.77 -42.48 93.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.491 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 56.4 t-80 -65.94 -48.91 69.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.988 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.604 ' N ' ' OE1' ' A' ' 47' ' ' GLN . 0.4 OUTLIER -61.53 -39.94 92.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.683 -179.853 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.6 tttm -61.92 -47.58 84.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.446 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -64.31 -39.62 94.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.436 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.405 ' CD1' HBB3 ' A' ' 125' ' ' HEB . 3.3 t80 -62.68 -46.04 90.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 24.7 ttt -61.17 -38.8 87.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.73 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.435 HG23 HD22 ' A' ' 4' ' ' LEU . 51.4 m -62.71 -38.57 90.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.748 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -57.86 -37.5 74.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.894 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.68 -33.32 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.902 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -77.65 -2.87 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 58' ' ' THR . . . 95.77 7.83 58.59 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.61 66.79 0.04 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 56' ' ' GLY . 72.0 p -65.27 -34.48 78.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.671 0.272 . . . . 0.0 110.885 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 58' ' ' THR . 87.8 m-20 37.14 -110.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.744 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -109.2 12.36 24.98 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.139 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.53 ' N ' ' CD ' ' A' ' 62' ' ' PRO . 7.7 m-85 -62.92 -39.75 56.0 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 61' ' ' PHE . 68.5 Cg_exo -47.5 -16.79 0.48 Allowed 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 121.82 1.68 . . . . 0.0 112.278 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.77 162.45 4.29 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.564 ' O ' ' CB ' ' A' ' 65' ' ' SER . 83.5 mtp180 -102.85 127.43 50.04 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.956 -0.297 . . . . 0.0 110.608 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 64' ' ' ARG . 1.3 p 151.79 -8.65 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.243 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 22.7 mmt -58.25 -36.86 73.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.847 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.27 -39.76 83.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.865 0.364 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.08 83.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.651 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.76 -36.86 85.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.749 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -94.45 -13.23 26.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.76 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -59.42 -37.89 79.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.801 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -57.45 -40.83 79.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.594 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.844 HD11 HMD2 ' A' ' 125' ' ' HEB . 76.7 mt -64.39 -38.9 92.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.624 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.16 -41.78 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.31 -35.22 79.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -91.5 -61.79 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.497 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.72 148.79 31.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.32 108.34 2.92 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 36.3 tp -100.76 129.05 46.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.624 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.509 ' OG1' HG12 ' A' ' 82' ' ' VAL . 69.0 p -122.85 166.48 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.624 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.791 ' OD2' HD11 ' A' ' 122' ' ' LEU . 94.3 m-20 -55.27 -34.64 64.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.398 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.509 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.4 p -49.58 -40.23 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.763 -179.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.457 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 76.5 m80 -60.51 -42.79 97.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.422 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -59.24 -44.05 92.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.493 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.28 -35.62 81.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.087 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.62 -59.97 4.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.478 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.0 tt -62.07 -26.72 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.579 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.34 96.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -64.59 -35.39 80.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.789 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -56.72 -39.72 74.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.52 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.6 tp -63.95 -38.19 90.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.621 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.476 HG13 HG21 ' A' ' 105' ' ' ILE . 70.2 t -62.14 -43.2 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.667 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.15 -36.59 82.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.649 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.4 m -59.11 -43.01 91.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.671 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.35 -36.29 83.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.523 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -60.52 -36.84 79.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.372 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.85 -31.22 72.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.439 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.409 ' HB2' HG23 ' A' ' 100' ' ' VAL . 57.1 mt -83.17 2.93 33.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.592 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 61.98 51.48 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.409 HG23 ' HB2' ' A' ' 98' ' ' LEU . 46.3 t -100.72 138.05 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.3 t -59.43 143.76 48.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.68 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.587 ' NE2' HD12 ' A' ' 105' ' ' ILE . 0.8 OUTLIER -58.14 -36.11 72.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.894 -179.798 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -55.49 -42.49 74.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.649 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.2 mt -66.75 -37.61 84.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.418 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.587 HD12 ' NE2' ' A' ' 102' ' ' GLN . 80.4 mt -62.81 -38.48 81.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.661 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -57.9 -39.4 77.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.658 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.63 -36.23 83.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.522 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.3 t -64.81 -39.77 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.628 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 113' ' ' GLY . 78.3 t -60.81 -41.13 87.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.8 m -60.25 -41.41 93.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.933 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.83 -50.59 78.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.77 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.518 ' C ' ' H ' ' A' ' 114' ' ' SER . 18.9 m -81.69 -19.04 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.518 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -67.67 14.02 0.58 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.518 ' H ' ' C ' ' A' ' 112' ' ' VAL . 60.3 m -58.64 128.74 38.69 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.368 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 74.9 t -69.68 -41.59 80.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -58.35 -42.43 86.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.086 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -63.51 -45.88 88.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.447 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.56 ' HE ' ' CG ' ' A' ' 81' ' ' ASP . 71.7 ttt180 -59.69 -41.27 90.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -60.21 -36.85 78.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.487 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 90.4 m-20 -58.86 -38.0 77.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.694 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.1 t -61.64 -42.19 93.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.664 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.791 HD11 ' OD2' ' A' ' 81' ' ' ASP . 64.1 mt -83.33 -10.91 58.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.776 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.487 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 87.4 m-20 58.27 43.8 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.814 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.422 HH11 ' HB3' ' A' ' 122' ' ' LEU . 65.1 mtt85 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.554 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' HEB . . . . . 0.844 HMD2 HD11 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.1 p -126.16 157.16 38.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.4 tp -56.28 -37.21 69.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.481 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.684 ' CE1' ' N ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -57.81 -43.35 85.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.34 -39.03 91.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -63.24 -49.87 72.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.053 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.858 HD12 HG22 ' A' ' 14' ' ' VAL . 67.2 mt -68.2 -36.33 79.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.804 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.71 8.12 70.49 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.499 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -147.1 103.61 0.27 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.684 ' N ' ' CE1' ' A' ' 5' ' ' TYR . . . -64.37 -39.7 94.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.771 0.319 . . . . 0.0 110.679 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.01 -39.0 92.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.586 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.57 -32.86 74.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.711 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.858 HG22 HD12 ' A' ' 8' ' ' LEU . 92.2 t -61.74 -42.71 95.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.731 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.52 -40.44 91.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.283 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.86 -41.36 91.29 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.059 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.96 -36.64 84.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.895 0.379 . . . . 0.0 110.489 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.3 -37.48 80.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.029 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -59.87 -39.93 86.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.178 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -62.9 -43.63 98.28 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.33 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -71.0 -50.09 38.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.517 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -60.7 -42.81 97.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.981 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.14 -45.91 93.38 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.588 ' HZ3' ' HB2' ' A' ' 93' ' ' LEU . 10.9 tttt -63.23 -42.66 99.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.3 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.51 -39.59 85.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.18 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 tp -59.13 -36.59 75.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.412 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.41 83.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.408 ' O ' HG22 ' A' ' 31' ' ' VAL . 59.5 t0 -86.01 106.72 17.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.832 0.349 . . . . 0.0 110.52 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -75.91 -20.2 58.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -57.2 -40.54 77.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.256 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 28' ' ' ASP . 13.9 m -81.21 -30.67 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.981 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -57.19 -33.99 68.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.261 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 36' ' ' VAL . 95.5 mtt180 -56.35 -39.99 73.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.784 0.326 . . . . 0.0 110.92 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -69.89 -32.49 70.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.327 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.494 ' O ' ' O ' ' A' ' 38' ' ' THR . 81.7 m-85 -83.18 5.91 21.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.24 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 33' ' ' ARG . 53.0 t -57.21 -43.23 81.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.401 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.661 ' ND2' HD22 ' A' ' 76' ' ' ASN . 84.3 m-20 -59.6 -33.71 71.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.585 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 35' ' ' PHE . 62.8 m -98.91 141.62 31.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.732 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.438 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 51.5 p30 -76.76 165.72 24.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.687 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -61.27 -35.42 77.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.201 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.03 -58.52 8.09 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.962 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -61.94 -33.62 74.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.752 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.589 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.2 tt0 -55.0 -41.65 71.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.925 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -60.54 -37.1 80.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.373 . . . . 0.0 110.452 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -60.55 -39.08 86.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.709 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.416 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 52.3 t-80 -59.01 -43.4 91.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.743 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.6 OUTLIER -59.61 -38.2 80.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.478 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -61.3 -49.77 75.67 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.317 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -68.35 -41.97 79.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.418 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.517 ' CE1' HBB3 ' A' ' 125' ' ' HEB . 65.9 t80 -63.39 -46.47 86.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.755 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.5 ttt -61.04 -40.83 95.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.72 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.4 m -63.23 -38.03 89.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.657 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.483 ' CE1' HG22 ' A' ' 58' ' ' THR . 70.3 t80 -57.75 -37.52 73.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.07 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.84 67.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.97 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -82.19 1.52 35.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.48 12.43 61.17 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.5 47.09 0.7 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 61' ' ' PHE . 58.8 p -65.5 -30.08 70.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.626 0.25 . . . . 0.0 110.833 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' THR . 89.1 m-20 34.44 -97.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.667 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 58' ' ' THR . 38.6 ptt180 -120.35 3.06 10.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.515 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 58' ' ' THR . 8.8 m-85 -35.69 -61.56 0.53 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.226 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 61' ' ' PHE . 29.5 Cg_exo -35.66 141.04 0.11 Allowed 'Trans proline' 0 C--N 1.312 -1.361 0 C-N-CA 122.325 2.017 . . . . 0.0 112.009 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.88 137.65 2.27 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -56.33 -34.53 66.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.727 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.1 m -54.13 -32.3 54.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.644 ' SD ' HMA2 ' A' ' 125' ' ' HEB . 22.9 mmt -55.67 -38.08 69.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.594 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -61.36 -37.03 81.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.553 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.35 -34.19 77.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.748 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.11 88.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.771 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -92.02 -17.57 24.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.766 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -58.99 -37.97 78.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.798 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -58.22 -39.91 80.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.71 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.811 HD11 HMD2 ' A' ' 125' ' ' HEB . 75.5 mt -62.04 -37.85 86.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.505 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.3 t -64.27 -41.85 93.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.773 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.9 -36.15 83.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.661 HD22 ' ND2' ' A' ' 37' ' ' ASN . 81.2 m-20 -89.49 -61.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.78 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.45 146.99 34.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.641 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -84.3 103.09 2.58 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 tp -103.11 131.32 50.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.718 0.294 . . . . 0.0 110.326 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.561 ' OG1' HG12 ' A' ' 82' ' ' VAL . 49.0 p -121.85 168.32 11.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.605 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.731 ' OD2' HD11 ' A' ' 122' ' ' LEU . 94.5 m-20 -54.26 -35.29 62.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.468 -179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.561 HG12 ' OG1' ' A' ' 80' ' ' THR . 3.2 p -51.11 -38.05 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.69 -179.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.412 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 77.5 m80 -58.39 -44.2 88.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.355 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.423 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 67.4 t80 -60.2 -43.03 96.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.254 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.84 -37.2 81.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.829 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.96 -60.8 2.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.141 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.8 tt -62.69 -26.68 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.921 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' PHE . . . -62.87 -43.85 97.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.839 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.18 -35.79 82.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.591 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.98 -38.63 73.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.522 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.7 tp -63.31 -39.4 94.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.547 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.553 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 75.0 t -64.24 -43.29 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.786 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.588 ' HB2' ' HZ3' ' A' ' 24' ' ' LYS . 82.3 mt -61.14 -36.61 80.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.722 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 50.4 m -60.19 -40.49 90.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.766 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.678 HD12 HG23 ' A' ' 105' ' ' ILE . 78.6 mt -61.63 -36.83 81.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.899 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.704 ' NE2' HD13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -60.14 -35.54 75.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.359 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.66 -32.04 73.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.501 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.441 ' HB2' HG23 ' A' ' 100' ' ' VAL . 59.8 mt -82.67 -0.47 47.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.774 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.3 t30 61.07 52.21 4.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.582 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 98' ' ' LEU . 46.5 t -99.68 139.0 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.51 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.4 t -54.44 139.68 36.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.71 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -58.23 -37.34 74.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.228 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -56.93 -43.8 81.85 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.904 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 80.6 mt -68.55 -39.01 81.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.5 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.704 HD13 ' NE2' ' A' ' 96' ' ' GLN . 94.8 mt -63.63 -37.54 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.02 -39.77 79.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.469 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.77 -35.41 81.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.38 -39.32 84.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.721 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.555 ' O ' ' N ' ' A' ' 113' ' ' GLY . 70.6 t -59.88 -41.6 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.709 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.5 m -60.41 -41.51 94.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.9 mt -59.02 -50.88 78.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.75 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 18.9 m -82.2 -22.11 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.529 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -82.29 11.39 50.37 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.9 m -59.28 139.5 56.93 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.401 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 68.9 t -69.12 -42.11 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.09 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -59.49 -43.37 93.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.014 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -61.24 -43.3 99.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.91 0.386 . . . . 0.0 110.412 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.553 HH21 ' CB ' ' A' ' 81' ' ' ASP . 78.7 ttt180 -57.71 -39.56 77.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.51 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -58.94 -37.24 76.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.484 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 89.1 m-20 -59.26 -37.57 77.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.651 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.75 -42.67 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.607 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.731 HD11 ' OD2' ' A' ' 81' ' ' ASP . 79.1 mt -83.16 -10.03 58.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.778 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.484 ' OD1' ' O ' ' A' ' 120' ' ' ASP . 81.3 m-20 58.5 43.96 18.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 122' ' ' LEU . 82.4 mmt-85 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.396 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' HEB . . . . . 0.811 HMD2 HD11 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -119.49 145.34 46.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.572 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.0 tp -55.04 -37.22 66.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.335 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -56.15 -43.63 78.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.59 -36.6 84.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.943 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -62.36 -52.39 63.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.181 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.911 HD12 HG22 ' A' ' 14' ' ' VAL . 69.7 mt -70.77 -38.01 73.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.7 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.04 26.83 65.61 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.495 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -167.08 126.19 1.41 Allowed Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.48 95.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.775 0.321 . . . . 0.0 110.666 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.52 -37.76 88.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.536 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.53 -37.12 86.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.557 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.911 HG22 HD12 ' A' ' 8' ' ' LEU . 92.2 t -63.3 -47.42 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.557 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -64.47 -38.6 91.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.8 tp -56.9 -41.69 78.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.73 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.89 -36.87 80.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.806 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.62 -40.82 90.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.064 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -62.39 -39.47 93.32 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.994 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -62.85 -45.29 93.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.426 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -69.61 -44.15 71.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.707 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.564 ' HE2' HD11 ' A' ' 26' ' ' LEU . 66.3 t80 -58.01 -42.26 84.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.974 -179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -57.46 -40.84 92.84 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -61.44 -37.19 82.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.819 0.342 . . . . 0.0 110.698 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.7 -41.24 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.666 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.564 HD11 ' HE2' ' A' ' 22' ' ' TYR . 73.6 mt -60.72 -34.92 75.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.654 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.09 95.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.419 ' OD2' HG13 ' A' ' 31' ' ' VAL . 61.6 t0 -89.88 105.08 17.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.934 0.397 . . . . 0.0 110.795 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -73.06 -28.31 62.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.8 mtm-85 -54.88 -42.27 71.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.767 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.419 HG13 ' OD2' ' A' ' 28' ' ' ASP . 30.0 m -80.11 -29.8 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.718 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -57.41 -34.33 68.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.292 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -52.59 -40.01 62.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.961 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -68.3 -30.45 69.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.172 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.482 ' O ' ' O ' ' A' ' 38' ' ' THR . 97.2 m-85 -94.41 -2.6 51.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.695 -179.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 t -60.57 -47.45 92.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.301 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -63.11 -35.51 80.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.044 0.449 . . . . 0.0 110.095 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.677 HG23 ' NZ ' ' A' ' 42' ' ' LYS . 62.8 m -86.23 141.04 29.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.435 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.496 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 49.7 p30 -68.17 151.65 46.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.993 0.425 . . . . 0.0 110.64 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.4 mtt -61.24 -34.06 74.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.038 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.15 -59.17 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.159 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.677 ' NZ ' HG23 ' A' ' 38' ' ' THR . 6.0 mtmp? -62.43 -33.85 75.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 110.673 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.589 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.3 tt0 -56.3 -42.32 77.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.109 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -59.67 -38.39 81.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.98 0.419 . . . . 0.0 110.698 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -60.99 -38.14 84.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.913 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.434 ' CD2' ' ND ' ' A' ' 125' ' ' HEB . 43.7 t-80 -59.93 -45.12 93.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.157 -179.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.589 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 0.7 OUTLIER -59.86 -39.35 84.9 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.857 -179.754 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -61.54 -48.57 80.4 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.047 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -66.53 -40.14 88.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.406 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.587 ' CE1' HBB3 ' A' ' 125' ' ' HEB . 68.8 t80 -61.34 -46.34 90.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.545 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.3 tpt -61.84 -39.94 93.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.63 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.506 HG22 ' HA3' ' A' ' 57' ' ' GLY . 42.5 m -60.86 -42.59 98.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.62 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -61.78 -41.95 98.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.771 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.87 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.937 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -75.04 -0.07 17.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.668 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.0 1.56 58.4 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.506 ' HA3' HG22 ' A' ' 52' ' ' THR . . . -73.27 51.36 1.72 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.59 ' O ' ' CD2' ' A' ' 61' ' ' PHE . 44.4 p -60.76 -32.39 71.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.669 0.271 . . . . 0.0 110.7 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.47 ' O ' ' C ' ' A' ' 60' ' ' ARG . 58.9 t0 41.24 37.23 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.297 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER 31.27 79.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.044 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.59 ' CD2' ' O ' ' A' ' 58' ' ' THR . 50.4 m-85 -71.13 151.55 94.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.376 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -41.12 -60.66 0.59 Allowed 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 122.371 2.047 . . . . 0.0 112.046 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.15 -7.2 72.67 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 64.8 ttt-85 -99.02 -66.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 110.636 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.3 p -62.17 -20.58 64.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.77 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.5 mmt -56.22 -39.46 72.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.687 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.93 -40.59 96.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 110.486 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -67.84 -33.87 75.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.23 -37.57 83.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.674 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -94.22 -16.91 23.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.678 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.34 -37.06 76.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.8 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -55.87 -40.86 73.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.757 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.692 HD11 HMD2 ' A' ' 125' ' ' HEB . 71.5 mt -64.6 -39.63 94.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.585 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.4 t -63.25 -41.08 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.33 -36.54 84.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.982 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -92.18 -61.26 1.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.203 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.5 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.38 148.73 31.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 0.0 110.991 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -83.75 111.09 3.39 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.4 tp -101.13 132.38 46.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.784 0.326 . . . . 0.0 110.602 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.517 ' OG1' HG12 ' A' ' 82' ' ' VAL . 28.2 p -123.11 166.53 15.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.607 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.592 ' OD1' HD11 ' A' ' 122' ' ' LEU . 94.4 m-20 -56.44 -34.53 66.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.699 -179.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.517 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.2 p -50.37 -38.35 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.807 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.432 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 78.2 m80 -57.94 -42.85 85.73 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.352 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -60.66 -45.15 95.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.503 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -62.23 -37.97 87.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.46 -57.71 6.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.4 tt -62.37 -30.44 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 110.611 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.36 92.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.64 -37.51 84.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.617 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -58.69 -37.91 77.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.56 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.9 tp -60.68 -38.82 86.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.565 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.655 HG13 HG21 ' A' ' 105' ' ' ILE . 78.7 t -62.23 -42.78 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.767 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.3 mt -62.09 -37.12 83.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.593 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.7 m -59.77 -41.76 91.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.683 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.713 HD12 HG23 ' A' ' 105' ' ' ILE . 73.4 mt -62.8 -36.37 82.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.624 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -60.01 -37.03 78.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.511 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.82 -31.29 72.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.528 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.404 ' HB2' HG23 ' A' ' 100' ' ' VAL . 59.5 mt -82.31 1.47 36.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.689 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 61.63 50.64 4.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.641 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.404 HG23 ' HB2' ' A' ' 98' ' ' LEU . 47.2 t -102.98 138.26 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.6 t -56.25 142.84 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.612 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.565 ' HA ' HD12 ' A' ' 105' ' ' ILE . 67.9 tp60 -58.27 -37.01 74.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.123 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -55.88 -42.73 76.35 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.697 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.9 -36.88 83.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.443 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.713 HG23 HD12 ' A' ' 95' ' ' LEU . 81.1 mt -60.73 -40.21 84.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.675 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -58.42 -40.0 81.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.52 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.24 -36.88 83.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.383 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.56 -39.86 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.605 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 113' ' ' GLY . 78.9 t -61.07 -40.87 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.671 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.6 m -60.0 -41.2 91.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.5 mt -58.57 -50.79 77.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.687 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.0 m -82.32 -19.75 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.417 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -88.31 64.72 3.5 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.4 m -115.85 144.37 44.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.774 0.321 . . . . 0.0 110.422 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.67 -41.5 92.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.25 -44.57 92.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.96 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -64.28 -43.2 95.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.366 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.486 ' NH2' ' OD2' ' A' ' 81' ' ' ASP . 78.3 ttt180 -57.52 -42.34 82.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.573 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -61.94 -39.12 90.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.52 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.2 -38.73 87.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.637 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.48 -41.59 92.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.579 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.592 HD11 ' OD1' ' A' ' 81' ' ' ASP . 68.2 mt -86.44 -5.82 59.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 58.21 43.96 19.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.448 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.555 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' HEB . . . . . 0.692 HMD2 HD11 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 m -120.54 149.78 41.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.608 ' CD1' ' CD2' ' A' ' 55' ' ' PHE . 41.7 tp -54.49 -38.25 66.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.324 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -58.33 -42.73 87.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -64.62 -39.7 94.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -65.34 -54.19 32.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.1 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.594 HD12 HG22 ' A' ' 14' ' ' VAL . 68.3 mt -69.67 -37.32 76.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.809 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.34 12.14 79.21 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.19 115.87 0.7 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.77 -40.46 95.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.58 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.18 -34.55 78.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.451 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -31.24 72.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.74 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.594 HG22 HD12 ' A' ' 8' ' ' LEU . 70.9 t -59.73 -46.31 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.716 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -64.24 -41.59 96.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.13 -39.17 93.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.979 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.67 -42.41 95.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.681 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.1 t -67.5 -38.15 80.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.98 -45.14 87.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.195 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -63.42 -40.45 97.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.44 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.567 ' O ' HG23 ' A' ' 25' ' ' VAL . 67.1 t80 -64.12 -42.79 96.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.771 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -59.44 -41.01 88.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.95 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.539 ' O ' ' CD1' ' A' ' 26' ' ' LEU . . . -56.59 -37.64 76.96 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -82.04 -33.01 30.18 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.142 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 21' ' ' PHE . 55.0 t -60.87 -47.57 92.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.526 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.058 HD13 ' N ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -78.87 -15.42 58.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.861 0.362 . . . . 0.0 110.475 -179.706 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 1.058 ' N ' HD13 ' A' ' 26' ' ' LEU . . . -64.02 -37.58 87.96 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.347 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -88.15 111.34 21.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.519 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.6 -25.26 63.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -54.73 -42.74 71.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.711 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.9 m -82.91 -27.16 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.948 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -57.11 -29.64 63.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -51.32 -40.79 59.81 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.849 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -71.52 -26.23 62.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.271 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -95.34 8.43 43.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.739 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.0 t -58.11 -40.39 76.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.476 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -85.53 6.19 28.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.621 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.6 m -119.17 138.62 52.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.458 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.439 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 49.5 p30 -77.97 159.45 28.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.67 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.4 mtm -60.72 -35.94 77.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.159 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.36 -57.49 12.57 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.141 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -61.2 -35.88 78.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.611 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.602 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 7.2 tt0 -55.18 -42.76 73.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.315 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -59.3 -35.78 74.41 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.922 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -58.43 -41.49 85.15 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.669 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.402 ' HB3' HE22 ' A' ' 47' ' ' GLN . 56.6 t-80 -62.63 -47.22 84.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.683 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.602 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 1.4 mp0 -61.22 -39.03 88.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -61.02 -49.46 77.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 110.402 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -67.64 -36.8 81.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.644 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.407 ' CE1' HBB3 ' A' ' 125' ' ' HEB . 65.9 t80 -58.24 -48.86 79.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.109 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.2 ttm -63.07 -42.41 99.65 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.912 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.0 m -60.95 -43.81 98.17 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -64.9 -39.37 93.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.774 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.38 -33.16 72.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.764 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.608 ' CD2' ' CD1' ' A' ' 4' ' ' LEU . 5.7 m-85 -75.76 1.73 14.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.612 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.57 6.76 59.49 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.87 61.59 0.34 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.589 ' O ' ' N ' ' A' ' 60' ' ' ARG . 52.9 p -64.63 -27.31 68.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.72 0.295 . . . . 0.0 110.464 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' THR . 89.2 m-20 33.66 -87.8 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.589 ' N ' ' O ' ' A' ' 58' ' ' THR . 60.9 ttm-85 -168.93 -42.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.666 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.483 ' O ' ' O ' ' A' ' 60' ' ' ARG . 7.9 m-85 56.02 155.92 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.327 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -42.74 142.64 1.98 Allowed 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.435 2.09 . . . . 0.0 112.127 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.16 1.23 76.36 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -70.1 143.18 52.48 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.4 p -52.83 112.47 0.85 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.608 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 mmt -61.23 -37.2 82.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.627 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 71' ' ' GLN . 77.6 mtt85 -59.61 -38.21 80.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.655 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.94 -35.79 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.739 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.87 -37.14 85.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.586 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -99.17 -12.43 20.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 67' ' ' ARG . 32.4 tt0 -59.02 -39.41 81.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -57.89 -39.75 78.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.675 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.829 HD11 HMD2 ' A' ' 125' ' ' HEB . 74.6 mt -63.28 -38.82 92.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.747 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.648 HG21 HD22 ' A' ' 123' ' ' ASN . 69.0 t -64.97 -41.24 91.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.96 -35.61 80.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -92.33 -61.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.081 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.496 ' O ' ' O ' ' A' ' 73' ' ' LEU . . . -110.09 149.88 29.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.942 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.13 112.93 3.8 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.2 tp -99.17 131.08 45.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.456 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.528 ' OG1' HG12 ' A' ' 82' ' ' VAL . 27.8 p -124.61 165.57 17.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.76 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.746 ' OD1' HD21 ' A' ' 122' ' ' LEU . 98.9 m-20 -56.1 -34.42 66.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.739 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.528 HG12 ' OG1' ' A' ' 80' ' ' THR . 2.6 p -46.88 -41.24 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.615 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.481 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 75.0 m80 -60.88 -44.64 96.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.888 0.375 . . . . 0.0 110.361 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -61.28 -43.99 97.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.506 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -59.89 -37.08 78.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.768 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.74 -59.95 3.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.99 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 tt -62.72 -30.69 49.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.492 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.67 87.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.39 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.28 -35.55 80.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.475 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -56.98 -39.01 73.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.819 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.7 tp -63.87 -40.03 95.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.2 t -61.31 -45.06 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.873 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 65.6 mt -63.59 -36.29 83.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.773 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 48.3 m -59.46 -42.09 91.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.196 -179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.503 HD12 HG23 ' A' ' 105' ' ' ILE . 71.9 mt -61.17 -36.5 79.99 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.685 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -60.35 -38.19 83.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.276 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.25 -31.99 73.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.465 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.446 ' HB2' HG23 ' A' ' 100' ' ' VAL . 55.0 mt -82.25 -0.09 43.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.715 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 47.7 t30 61.38 50.81 4.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.597 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' A' ' 98' ' ' LEU . 47.1 t -100.32 139.0 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.461 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.4 t -54.02 140.75 30.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.695 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.481 ' HA ' HD12 ' A' ' 105' ' ' ILE . 61.1 tp60 -59.03 -36.45 75.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.046 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -55.22 -42.26 73.13 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.776 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.5 -37.34 82.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.514 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.503 HG23 HD12 ' A' ' 95' ' ' LEU . 78.1 mt -61.71 -41.09 89.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.747 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -59.2 -40.13 84.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.96 -35.01 79.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.55 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.406 ' O ' HG22 ' A' ' 112' ' ' VAL . 74.3 t -62.67 -39.56 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.762 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 113' ' ' GLY . 65.6 t -60.11 -42.91 91.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 51.0 m -61.98 -43.19 99.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.094 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.06 -50.77 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.978 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 108' ' ' VAL . 17.9 m -79.04 -23.77 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.598 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 109' ' ' VAL . . . -82.81 14.65 35.89 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.6 m -58.59 142.32 49.61 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.317 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.513 HG12 ' ND2' ' A' ' 119' ' ' ASN . 71.1 t -68.09 -41.44 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.083 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -58.98 -47.15 86.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.177 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -66.72 -45.07 79.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.437 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 59.1 ttt85 -58.71 -42.28 88.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.68 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.513 ' ND2' HG12 ' A' ' 115' ' ' VAL . 83.7 m-20 -61.53 -37.1 82.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.756 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.498 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 90.3 m-20 -60.79 -38.35 85.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.817 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.3 t -62.29 -45.22 99.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.643 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.746 HD21 ' OD1' ' A' ' 81' ' ' ASP . 96.5 mt -66.84 -30.97 71.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.979 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.648 HD22 HG21 ' A' ' 74' ' ' VAL . 82.3 m-20 60.27 45.41 11.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.025 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.549 179.616 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' HEB . . . . . 0.829 HMD2 HD11 ' A' ' 73' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_