data_2mvt_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 2mvt _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.511 ' HZ3' ' NH1' ' A' ' 11' ' ' ARG . 23.3 tttp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.875 0.369 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.6 m -117.71 -62.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.401 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -30.47 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.263 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -55.26 -45.66 76.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.386 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.33 114.92 29.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.406 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.11 -3.7 31.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.682 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.88 -33.97 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.393 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.511 ' NH1' ' HZ3' ' A' ' 4' ' ' LYS . 80.9 mtt180 -74.92 -33.3 61.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.355 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 16' ' ' THR . 19.9 tt0 -60.56 -52.6 64.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.58 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.48 HG21 HD11 ' A' ' 13' ' ' ILE . 54.3 mt -51.0 -26.23 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.431 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.19 -51.13 6.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.485 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.5 m -72.33 -12.75 61.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 12' ' ' GLU . 2.9 m -78.1 -32.82 50.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.519 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -84.55 -23.47 29.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.6 m -69.07 -33.97 74.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.736 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.471 ' HG2' ' CD2' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -75.49 -28.82 59.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.548 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.463 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 17.9 m-20 -84.43 -17.07 40.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.44 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -52.09 27.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.444 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.6 t -95.86 -1.33 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.493 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 51.64 36.01 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.524 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m -129.32 119.88 24.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.563 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.68 -16.07 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.734 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.16 -21.6 49.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.584 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.93 -28.7 55.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.471 ' CD2' ' HG2' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -62.54 -64.72 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.599 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.448 ' O ' ' OG1' ' A' ' 33' ' ' THR . 47.3 t80 -55.31 -31.82 61.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.751 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.91 -11.44 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.722 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.2 t -92.56 -30.31 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.797 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.55 3.68 39.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.863 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -129.01 176.59 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.797 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.459 ' O ' ' O ' ' A' ' 33' ' ' THR . 11.7 t 51.19 170.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.83 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -109.05 -40.17 5.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.562 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -53.28 57.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.9 m -57.05 -28.58 62.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.345 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.58 -43.58 66.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.606 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -30.34 54.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.674 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -72.28 -24.86 61.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -59.94 4.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.56 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.16 -54.48 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.682 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -53.77 -28.54 35.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -20.9 45.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.5 mt -84.19 -41.11 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.456 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.505 ' O ' ' O ' ' A' ' 47' ' ' GLN . 33.6 t-80 -91.14 -29.82 17.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.505 ' O ' ' O ' ' A' ' 46' ' ' HIS . 3.0 pt20 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.589 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.747 ' HZ1' ' NH2' ' A' ' 11' ' ' ARG . 24.2 tttp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.884 0.373 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.415 ' C ' ' H ' ' A' ' 7' ' ' ASP . 0.8 OUTLIER -133.8 -57.74 0.87 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.668 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.28 -0.77 3.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.907 0.384 . . . . 0.0 110.26 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.607 ' OD1' ' N ' ' A' ' 8' ' ' SER . 32.6 p-10 -89.52 -41.15 12.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.393 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.607 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 48.4 m -100.23 131.72 46.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.515 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.18 -0.25 51.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.603 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.417 ' HG2' ' NH1' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -100.9 -27.08 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.386 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.747 ' NH2' ' HZ1' ' A' ' 4' ' ' LYS . 9.0 mtm180 -96.92 -12.22 23.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.159 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' THR . 8.3 tt0 -82.64 -49.73 9.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.387 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mt -62.35 -23.39 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.132 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.98 -16.29 30.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.541 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.686 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 56.4 m -110.84 -9.85 14.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.487 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 12' ' ' GLU . 43.5 m -88.54 -29.57 19.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.418 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -82.18 -20.5 37.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.468 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.85 -48.19 66.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.699 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.662 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -75.95 -45.92 32.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.365 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.433 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 41.1 t0 -44.62 -32.24 1.4 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.329 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -77.25 -48.48 17.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.241 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.515 ' O ' ' OG1' ' A' ' 24' ' ' THR . 3.3 t -82.52 -5.81 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.3 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.662 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER 39.28 48.51 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.732 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.515 ' OG1' ' O ' ' A' ' 22' ' ' VAL . 1.4 m -140.55 112.11 7.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.619 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -46.16 -30.12 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.628 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -66.05 -25.2 66.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.993 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.412 ' CD1' HG12 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -79.45 -44.19 21.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.65 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 16' ' ' THR . 0.6 OUTLIER -50.13 -51.66 41.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.76 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -67.27 -17.19 64.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.666 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -77.66 -12.4 59.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.687 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.52 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 43.2 t -88.89 -45.33 9.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.655 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.64 -0.63 21.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.963 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.47 ' H ' ' HG1' ' A' ' 33' ' ' THR . 0.2 OUTLIER -69.97 -164.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.6 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -36.98 142.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.615 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -52.76 -45.19 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.437 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.8 p -46.49 -51.7 14.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.378 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.5 m -65.29 -31.43 72.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.293 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.686 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 2.0 t80 -62.91 -54.63 35.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.528 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -59.28 -17.17 26.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.744 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -81.74 -36.11 28.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.666 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -22.06 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.531 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -91.37 -26.01 19.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.48 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.4 m -76.05 -28.45 57.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.695 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.0 mtt -79.24 -46.96 16.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.4 mt -51.67 -34.46 38.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.771 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -101.19 -63.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.711 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.553 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.455 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 23.9 tttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.736 0.303 . . . . 0.0 110.484 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.87 -62.25 1.59 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.651 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -64.33 -15.41 60.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.664 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -66.82 -28.41 68.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.627 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.4 p -150.48 115.45 5.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.733 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.48 -7.82 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -25.15 61.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.238 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 mtm-85 -98.42 -31.37 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.319 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.555 ' O ' ' OG1' ' A' ' 16' ' ' THR . 3.1 tp10 -65.51 -28.36 69.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.551 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.7 mt -86.61 -30.09 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.609 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.9 -21.43 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.982 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 67.1 m -88.48 -3.45 58.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.824 0.345 . . . . 0.0 110.645 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.555 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 2.8 m -87.86 -53.99 4.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.278 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.39 -35.04 37.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.183 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -55.95 17.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.748 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -69.03 -41.55 77.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -51.2 -26.36 6.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.26 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -59.22 2.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.296 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.1 t -78.0 -5.43 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.5 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.7 mtt-85 46.87 38.08 5.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.747 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -126.24 108.67 11.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.495 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 17.8 p30 -46.65 -23.69 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.562 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.662 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 27.1 t70 -67.86 -27.51 66.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.503 ' O ' ' N ' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -69.38 -52.98 21.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.562 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -42.68 -54.26 4.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.277 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -56.29 -30.51 62.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.959 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -69.87 -23.9 63.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.12 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.7 t -82.92 -45.4 14.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.518 ' O ' ' O ' ' A' ' 33' ' ' THR . 2.3 t -71.14 -8.98 57.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.538 ' CG2' ' H ' ' A' ' 34' ' ' SER . 1.7 m -56.64 -146.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.375 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.539 ' H ' ' HG ' ' A' ' 34' ' ' SER . 0.3 OUTLIER -73.26 170.16 15.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.685 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -63.63 -49.51 72.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.92 -40.84 6.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.435 ' H ' ' HG1' ' A' ' 37' ' ' THR . 0.5 OUTLIER -77.85 -29.63 50.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.714 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -55.13 -42.58 73.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.58 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -71.85 -37.98 70.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.484 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -50.57 -51.43 48.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.333 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.28 -47.92 65.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.311 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -57.61 -35.9 71.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.217 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.7 m -59.65 -31.0 69.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.531 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.7 ttt -79.63 -30.22 41.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.728 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.1 mt -73.55 -23.02 59.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.507 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' A' ' 47' ' ' GLN . 61.3 t-80 -107.6 -43.98 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.445 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.558 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.874 0.369 . . . . 0.0 110.576 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 30.8 m -97.54 -44.11 6.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.396 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -59.59 -17.66 34.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.48 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -78.89 -33.16 45.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.629 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.77 110.33 11.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.485 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.61 -34.8 69.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.644 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -36.15 82.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.022 0.439 . . . . 0.0 110.083 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -68.95 -25.52 64.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.299 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' CYS . 3.4 tt0 -70.67 -60.73 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.3 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.8 mt -42.57 -26.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.268 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 12' ' ' GLU . . . -74.99 -40.72 60.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.174 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.507 ' N ' ' O ' ' A' ' 12' ' ' GLU . 98.3 m -73.9 -24.38 59.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.389 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.7 m -74.73 -24.93 58.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.353 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -83.87 -22.45 31.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.476 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 m -74.23 -47.61 34.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.288 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.622 ' O ' ' N ' ' A' ' 23' ' ' ARG . 1.8 ptm180 -54.35 -35.82 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.154 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.442 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 6.9 t70 -66.17 -33.06 74.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.481 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.678 ' NE ' ' SD ' ' A' ' 44' ' ' MET . 26.5 ttm105 -60.72 -28.15 68.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.594 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.456 HG13 ' CE2' ' A' ' 27' ' ' TYR . 1.5 t -118.72 -14.89 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.622 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.8 mtp180 57.45 46.11 18.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.817 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 m -146.19 121.97 10.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.766 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -51.15 -33.64 27.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.364 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.53 -15.88 59.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.51 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.456 ' CE2' HG13 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -100.6 4.3 43.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.809 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -93.54 -42.49 9.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 109.924 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -70.23 -22.56 62.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.918 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.06 -25.49 66.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.269 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.6 t -76.46 -46.29 27.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.385 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -3.5 3.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.456 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.488 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -145.87 -150.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.738 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 33' ' ' THR . 41.8 t 32.2 93.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.726 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 36' ' ' SER . 13.2 pt-20 -62.53 -34.55 77.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.195 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -55.89 -60.44 3.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.336 179.792 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.6 m -63.18 -35.66 81.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.406 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -55.11 -55.71 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.414 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -48.43 -47.3 38.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.62 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -60.51 -52.18 66.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.556 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -40.88 13.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.508 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -72.48 -51.33 20.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.366 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 47' ' ' GLN . 2.8 m -48.48 -34.9 11.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.393 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.678 ' SD ' ' NE ' ' A' ' 21' ' ' ARG . 7.7 ttm -76.97 -45.56 27.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.41 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.2 mt -55.86 -12.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.544 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -121.6 -34.65 3.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.569 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.117 -0.945 . . . . 0.0 110.483 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.575 ' C ' ' SG ' ' A' ' 32' ' ' CYS . 7.5 mmmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.749 0.309 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.574 ' O ' ' N ' ' A' ' 7' ' ' ASP . 13.2 m -111.34 -85.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 5' ' ' CYS . 1.5 tt0 -36.82 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.593 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.574 ' N ' ' O ' ' A' ' 5' ' ' CYS . 1.4 m-20 -58.59 -9.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.579 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.588 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.2 p -159.14 86.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.566 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 mt -42.54 -15.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.624 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 8' ' ' SER . 0.7 OUTLIER -78.11 -47.32 18.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.75 -179.734 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -66.93 -17.05 64.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.747 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -72.75 -43.93 62.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.745 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.1 mt -54.79 -55.09 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.85 93.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.722 ' SG ' ' CE2' ' A' ' 28' ' ' PHE . 35.5 t -64.19 -46.49 83.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.698 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.9 m -57.71 -48.25 80.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.308 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -58.02 -23.41 54.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.04 -52.47 9.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.555 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.58 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -72.46 -45.75 58.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.625 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 3.0 t70 -54.24 -15.09 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.148 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -91.55 -29.0 17.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.124 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.408 HG22 ' CD2' ' A' ' 27' ' ' TYR . 2.3 t -105.4 -8.26 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.306 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.58 ' N ' ' O ' ' A' ' 19' ' ' ARG . 13.5 mtm180 48.64 39.7 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.711 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.614 ' C ' ' H ' ' A' ' 26' ' ' ASP . 0.5 OUTLIER -120.54 117.58 27.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.599 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.65 2.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.363 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.614 ' H ' ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -101.75 -39.81 7.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.818 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' CD2' HG22 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -50.21 -52.97 31.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.568 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.722 ' CE2' ' SG ' ' A' ' 15' ' ' CYS . 16.2 t80 -51.37 -61.05 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.537 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.448 ' O ' ' OG1' ' A' ' 33' ' ' THR . 19.9 t80 -46.8 -35.75 6.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.902 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -70.61 -21.65 62.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.533 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.742 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 3.2 p -75.8 -49.81 17.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.79 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.742 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -72.15 -0.58 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.866 -179.514 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.491 ' CG2' ' H ' ' A' ' 34' ' ' SER . 1.6 m -75.48 -144.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.358 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.491 ' H ' ' CG2' ' A' ' 33' ' ' THR . 0.5 OUTLIER -50.49 162.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.554 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.89 -38.21 76.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.502 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -51.52 57.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.438 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.448 ' H ' ' HG1' ' A' ' 37' ' ' THR . 0.1 OUTLIER -52.74 -49.14 66.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.271 179.811 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -56.67 16.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.502 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.07 -31.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.692 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -68.75 -49.3 59.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.519 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.9 t -39.18 -36.73 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.392 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.51 -43.3 60.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.47 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 40' ' ' LYS . 95.9 m -52.69 -38.72 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.2 ttt -71.25 -45.24 63.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.613 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mt -46.82 -52.29 14.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.555 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -179.1 65.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.566 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.429 ' OXT' ' CD ' ' A' ' 47' ' ' GLN . 6.0 tm0? . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.595 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.6 mttt . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.755 0.312 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 83.2 m -107.55 -70.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.566 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.91 -10.27 27.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.355 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -67.66 -40.42 84.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.637 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 p -130.98 106.14 8.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.617 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.7 tp -58.95 -15.27 12.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.385 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -83.08 -43.36 16.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.647 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -24.46 53.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.469 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 15' ' ' CYS . 32.0 tt0 -69.23 -58.61 3.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.614 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.9 mt -46.84 -31.92 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.488 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -33.97 67.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.324 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.522 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 56.5 m -75.92 -17.35 59.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.376 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.0 m -79.08 -47.96 15.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.43 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -54.9 -20.79 9.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.465 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 t -78.07 -53.39 7.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.037 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.628 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -66.56 -33.64 76.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.677 -179.682 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.485 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -68.63 -34.16 75.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.371 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -19.81 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.263 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.539 ' O ' ' C ' ' A' ' 23' ' ' ARG . 2.9 t -119.75 -5.24 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.52 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' A' ' 19' ' ' ARG . 43.2 mtp85 28.49 56.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.642 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.642 ' C ' ' H ' ' A' ' 26' ' ' ASP . 1.0 OUTLIER -110.18 -10.76 14.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.515 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.0 t0 68.21 -25.13 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.19 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.642 ' H ' ' C ' ' A' ' 24' ' ' THR . 2.7 m-20 -88.11 -34.26 17.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.296 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.418 ' O ' ' CB ' ' A' ' 30' ' ' GLU . 1.8 m-85 -53.91 -47.61 70.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.274 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -52.13 -62.97 1.3 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.341 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -50.95 -17.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.236 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 14.5 tt0 -75.99 -24.64 55.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.38 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -43.13 30.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.292 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -3.41 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.472 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.521 ' CG2' ' H ' ' A' ' 34' ' ' SER . 1.1 m -73.88 -152.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.608 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.528 ' HG ' ' H ' ' A' ' 35' ' ' GLU . 31.3 t -66.97 169.47 8.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.434 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.528 ' H ' ' HG ' ' A' ' 34' ' ' SER . 8.8 tt0 -63.81 -37.69 88.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.419 ' HG ' ' H ' ' A' ' 37' ' ' THR . 2.4 p -50.01 -56.5 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.419 ' H ' ' HG ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -61.27 -30.01 70.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.053 -179.599 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.522 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -53.81 -40.23 66.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.05 -179.672 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.558 ' O ' ' OG1' ' A' ' 43' ' ' THR . 1.5 mtpm? -74.12 -41.6 61.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.312 . . . . 0.0 110.99 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -46.53 -43.38 16.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -55.45 14.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.858 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -23.25 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.665 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.558 ' OG1' ' O ' ' A' ' 39' ' ' LYS . 1.7 m -74.6 -43.05 57.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.477 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.546 ' O ' ' O ' ' A' ' 47' ' ' GLN . 1.1 mtp -67.84 -33.64 75.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.386 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.4 -57.37 11.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.493 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -64.74 -29.21 70.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.493 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.546 ' O ' ' O ' ' A' ' 44' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.518 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.424 ' HD2' HH21 ' A' ' 11' ' ' ARG . 2.6 mmmp? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.673 0.273 . . . . 0.0 110.759 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 90.9 m -113.38 -38.22 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.727 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.576 ' OE1' ' N ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -74.53 -14.25 60.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -65.49 -42.4 92.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.675 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -123.36 106.0 10.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.752 -179.835 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.9 mt -42.59 -20.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.587 ' C ' ' H ' ' A' ' 12' ' ' GLU . 16.5 ttm-85 -78.09 -52.78 8.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.494 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.424 HH21 ' HD2' ' A' ' 4' ' ' LYS . 14.5 mmm-85 -62.96 7.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.487 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.587 ' H ' ' C ' ' A' ' 10' ' ' ARG . 25.4 tt0 -100.56 -51.75 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.769 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -52.47 -42.12 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.36 -23.5 67.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.5 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.789 ' SG ' ' CE1' ' A' ' 28' ' ' PHE . 13.1 t -83.81 -28.01 28.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.548 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 m -72.13 -51.86 19.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.461 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -48.12 -23.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.713 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.4 -56.05 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.538 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.565 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.7 OUTLIER -73.42 -37.33 65.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.583 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -58.88 -20.27 49.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.751 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 ttt-85 -83.74 -50.26 8.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.374 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.57 -7.57 10.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.38 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' A' ' 19' ' ' ARG . 3.1 mtt-85 49.76 44.64 24.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.683 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.473 ' C ' ' H ' ' A' ' 26' ' ' ASP . 0.6 OUTLIER -134.32 113.37 11.86 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.75 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -51.27 -12.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.375 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.473 ' H ' ' C ' ' A' ' 24' ' ' THR . 4.6 m-20 -80.09 -22.81 41.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.747 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -76.82 -49.36 15.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.553 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.789 ' CE1' ' SG ' ' A' ' 15' ' ' CYS . 6.6 t80 -44.73 -53.1 7.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.685 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -55.5 -34.81 64.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.031 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.462 ' C ' ' HG1' ' A' ' 33' ' ' THR . 0.1 OUTLIER -67.84 -9.61 45.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.599 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.771 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.8 p -85.91 -52.0 6.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.24 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.771 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -77.92 -3.73 43.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.884 -179.452 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.462 ' HG1' ' C ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -61.25 -169.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.198 179.63 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 p -46.14 166.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.348 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 38' ' ' PHE . 6.6 mp0 -61.02 -58.15 9.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.588 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -38.31 -41.1 0.59 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.598 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.538 ' H ' ' HG1' ' A' ' 37' ' ' THR . 0.0 OUTLIER -71.37 -37.02 71.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.712 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -54.92 -56.5 18.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.38 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -54.53 -30.27 53.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.289 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -61.22 -34.34 74.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.628 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -42.76 67.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.64 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -58.14 -33.18 68.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.52 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -33.72 76.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.419 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 ttt -83.01 -12.17 57.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.393 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.7 mt -79.93 -16.65 54.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.591 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -114.83 -62.57 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.51 179.902 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.638 ' C ' ' H ' ' A' ' 6' ' ' GLU . 9.9 tttt . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.947 0.403 . . . . 0.0 110.465 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.506 ' SG ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 55.24 0.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.394 -179.671 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.638 ' H ' ' C ' ' A' ' 4' ' ' LYS . 33.5 mt-10 -104.12 -24.3 13.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.361 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -137.99 25.56 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.487 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.9 p -119.19 126.41 51.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.646 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.579 ' C ' ' H ' ' A' ' 11' ' ' ARG . 5.2 mt -96.79 -61.84 1.35 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.591 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -52.84 -4.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.648 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.579 ' H ' ' C ' ' A' ' 9' ' ' LEU . 11.2 ttt85 -111.81 -28.79 7.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.747 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -76.97 -26.72 54.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.3 mt -78.24 -26.84 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.633 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.4 -25.78 19.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.821 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 90.3 m -86.6 -23.16 25.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.708 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.8 m -79.86 -23.32 42.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.59 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -81.93 -16.04 51.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.2 -40.66 12.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' ARG . 26.7 ptt180 -70.13 -35.48 74.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.708 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 36.7 t70 -64.36 -26.08 68.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.392 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -65.43 -50.44 65.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.368 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.441 ' CG2' ' CD2' ' A' ' 27' ' ' TYR . 1.9 t -97.52 -4.28 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.431 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' ARG . 76.8 mtm-85 50.31 29.27 3.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.573 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.2 m -119.36 122.85 42.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.28 -31.28 61.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.431 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -20.61 66.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.426 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.441 ' CD2' ' CG2' ' A' ' 22' ' ' VAL . 0.6 OUTLIER -89.4 -4.41 58.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.356 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -87.75 -57.2 3.03 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.29 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.49 ' OH ' ' NZ ' ' A' ' 4' ' ' LYS . 6.3 t80 -51.23 -35.92 39.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.427 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.541 ' O ' ' OG1' ' A' ' 33' ' ' THR . 4.2 mm-40 -52.79 -36.77 58.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.484 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.477 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 40.8 t -70.12 -46.44 64.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.784 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.44 ' SG ' ' HD3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -70.97 7.3 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.797 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.541 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -82.99 -159.53 0.34 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.588 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.534 ' O ' ' O ' ' A' ' 33' ' ' THR . 0.3 OUTLIER -46.17 -178.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.56 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -87.47 -11.97 47.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.449 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -77.07 -63.02 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.396 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.97 -16.95 2.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.265 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.477 ' CD2' ' O ' ' A' ' 31' ' ' CYS . 1.2 t80 -63.61 -47.48 81.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.251 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.601 ' O ' ' N ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -63.66 -57.45 10.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.186 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' LYS . 8.0 tttp -39.73 -21.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.955 0.407 . . . . 0.0 110.063 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.601 ' N ' ' O ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -94.47 -51.0 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.27 179.83 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -63.6 -32.68 74.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.388 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.4 m -65.31 -24.2 67.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.513 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.8 mtp -88.17 -14.46 38.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.608 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.48 -36.58 57.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.571 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.414 ' O ' ' CG ' ' A' ' 46' ' ' HIS . 0.6 OUTLIER -167.59 55.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.612 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.54 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.629 ' C ' ' H ' ' A' ' 6' ' ' GLU . 1.7 tppp? . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.9 0.381 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.452 ' SG ' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 49.94 4.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.56 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.629 ' H ' ' C ' ' A' ' 4' ' ' LYS . 3.0 tt0 -111.55 -23.14 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.314 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -122.98 -25.47 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.718 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.594 ' C ' ' H ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -67.32 83.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.986 0.422 . . . . 0.0 110.357 179.781 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 mp -59.72 4.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.031 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.594 ' H ' ' C ' ' A' ' 8' ' ' SER . 28.6 mtp85 -108.0 -22.99 12.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.773 0.321 . . . . 0.0 110.831 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 mtm-85 -110.41 -7.42 14.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.034 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.509 ' O ' ' OG1' ' A' ' 16' ' ' THR . 8.3 tm-20 -89.01 -26.08 21.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.311 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.2 mt -80.09 -30.94 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.32 -51.43 6.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.0 m -59.8 -15.01 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.509 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 16.9 m -77.71 -33.89 52.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.264 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -79.2 -23.62 43.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.646 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.1 m -74.87 -55.56 5.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 3.8 ptt-85 -56.23 -39.49 72.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.664 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.48 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -60.48 -31.48 70.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -69.42 -47.12 65.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.56 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.6 t -81.66 -26.47 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.525 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' ARG . 30.6 mtp180 64.06 40.6 6.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.1 m -141.9 117.73 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.557 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -23.56 19.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.41 -10.39 59.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.516 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -95.11 -18.24 21.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.59 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.11 -48.97 61.14 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.389 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -58.23 -32.12 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.41 . . . . 0.0 109.933 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.521 ' O ' ' OG1' ' A' ' 33' ' ' THR . 1.3 tt0 -61.84 -24.65 67.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.332 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.502 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 39.3 t -75.51 -36.85 60.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.429 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.39 2.42 28.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.029 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.521 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -69.42 -153.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 0.0 110.848 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 t -51.96 166.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -73.45 -37.31 65.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.577 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.53 -34.93 62.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.428 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -25.24 27.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.367 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 31' ' ' CYS . 2.4 t80 -68.46 -48.88 63.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.575 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -57.83 -45.12 86.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.77 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -54.27 -43.47 71.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.657 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -58.84 -27.51 65.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.572 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -82.1 -25.59 34.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.413 ' H ' ' HG1' ' A' ' 43' ' ' THR . 1.3 m -71.3 -32.66 68.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.339 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 24.3 mtp -82.67 -20.5 36.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.314 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.7 mt -85.65 -17.66 35.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.483 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -99.45 -40.34 7.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.557 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.6 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.893 0.378 . . . . 0.0 110.434 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.2 m -94.71 -79.22 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.339 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -44.13 -27.76 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.367 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -62.12 -62.3 1.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.637 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.527 ' C ' ' H ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -92.38 106.91 18.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.691 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.99 0.88 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.241 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.527 ' H ' ' C ' ' A' ' 8' ' ' SER . 8.7 ttm105 -99.03 -32.53 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.627 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.31 -8.95 58.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -84.63 -38.33 19.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.765 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.439 ' N ' HD12 ' A' ' 13' ' ' ILE . 5.0 mm -65.08 -33.46 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.649 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.61 -45.07 39.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.306 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.4 m -66.51 -21.54 66.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.44 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.8 m -80.27 -49.32 11.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.931 0.396 . . . . 0.0 110.223 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -56.47 -20.41 19.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.292 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.29 -58.91 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.624 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.669 ' O ' ' N ' ' A' ' 23' ' ' ARG . 22.0 ptt180 -56.18 -36.95 68.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 13.8 t70 -56.1 -36.3 68.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.545 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -60.86 -47.73 85.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.489 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -95.59 -8.38 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.425 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.669 ' N ' ' O ' ' A' ' 19' ' ' ARG . 52.7 mtt85 48.75 34.6 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.785 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.628 ' C ' ' H ' ' A' ' 26' ' ' ASP . 1.3 m -117.83 121.67 41.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.512 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.09 0.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.51 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.628 ' H ' ' C ' ' A' ' 24' ' ' THR . 15.3 t0 -96.94 -45.36 6.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.573 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -61.06 -13.31 16.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.497 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -74.43 -63.68 1.19 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.849 0.356 . . . . 0.0 110.145 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -44.89 48.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.119 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -43.48 -27.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.346 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.429 ' C ' ' H ' ' A' ' 33' ' ' THR . 46.5 t -81.06 -50.44 9.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.506 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.33 -6.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.429 ' H ' ' C ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -146.58 -173.09 4.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.949 0.404 . . . . 0.0 110.915 -179.841 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t 50.49 96.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.618 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 36' ' ' SER . 21.1 pt-20 -53.51 -39.12 64.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.525 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.435 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 34.1 t -54.78 -39.43 68.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.491 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.6 m -74.86 -41.43 59.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.403 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.97 -30.27 24.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.376 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.71 -37.07 12.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.394 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.41 -23.51 67.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.4 t -68.37 -62.37 1.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.729 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.667 ' NE2' ' O ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -49.94 -28.02 6.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.74 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.2 m -82.83 -35.64 26.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.719 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -72.18 -7.61 50.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.558 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.1 mt -90.73 -45.15 9.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.476 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -73.42 -26.9 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.532 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.53 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.926 0.393 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.417 ' HB2' ' H ' ' A' ' 6' ' ' GLU . 4.3 m -103.47 -80.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.662 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.417 ' H ' ' HB2' ' A' ' 5' ' ' CYS . 4.7 mm-40 -47.37 -21.84 0.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.434 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -64.91 -36.7 85.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.425 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 p -123.15 119.06 29.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.452 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.4 mm? -65.19 -57.32 8.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.732 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -38.51 -46.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.628 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.639 ' NH1' ' CE2' ' A' ' 38' ' ' PHE . 8.4 ttm-85 -59.48 -43.32 93.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -61.64 -34.95 76.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.478 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -69.21 -27.83 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.74 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.93 -41.01 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.621 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.5 m -73.12 -15.32 61.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.5 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 2.7 m -74.32 -30.93 62.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.22 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -80.29 -23.39 40.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.458 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.93 -32.3 67.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.759 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.506 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 0.4 OUTLIER -84.4 -42.75 15.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.582 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 5.7 m-20 -65.96 -16.33 63.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.33 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.443 ' NH2' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -74.14 -44.88 52.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.425 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.17 -11.65 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.665 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 19' ' ' ARG . 7.2 mtp-105 58.99 47.25 12.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.637 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.488 ' CG2' ' H ' ' A' ' 26' ' ' ASP . 2.6 m -137.18 117.21 13.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.5 -13.77 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.7 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.488 ' H ' ' CG2' ' A' ' 24' ' ' THR . 1.1 t0 -85.47 -26.77 26.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.684 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -78.91 -7.51 58.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.779 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -80.78 -62.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.273 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -54.15 -28.38 39.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 0.0 110.026 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.48 -30.69 68.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.393 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.426 ' SG ' ' CE2' ' A' ' 38' ' ' PHE . 51.5 t -74.59 -39.32 62.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.638 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 33' ' ' THR . 1.3 m -71.65 -11.25 60.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.562 ' CG2' ' H ' ' A' ' 34' ' ' SER . 1.6 m -59.27 -151.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.63 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.657 ' OG ' ' N ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -76.47 -173.46 2.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.808 -179.812 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.657 ' N ' ' OG ' ' A' ' 34' ' ' SER . 24.9 mt-10 -75.13 -34.98 61.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.715 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.3 m -50.45 -44.7 55.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.74 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.09 -31.83 50.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.655 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CE2' ' NH1' ' A' ' 11' ' ' ARG . 1.6 t80 -61.03 -33.86 73.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.672 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -67.23 -42.98 83.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.638 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -56.97 -41.78 78.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -43.52 91.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -54.09 -29.73 45.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.518 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.1 m -77.73 -28.98 50.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.436 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.443 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 3.6 mmt -82.22 -46.0 14.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.514 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -50.74 -34.24 26.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.645 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -107.12 -73.07 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.63 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.579 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 tttp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.894 0.378 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.3 m -113.12 -57.17 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.357 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -67.19 -4.31 10.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.143 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -91.8 -52.24 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.238 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.73 122.58 46.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.379 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.27 -49.85 57.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.771 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.408 ' HG2' ' NH1' ' A' ' 10' ' ' ARG . 14.7 mtp85 -47.69 -25.46 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -75.92 -39.23 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.543 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 16' ' ' THR . 1.6 tt0 -62.83 -55.96 21.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.532 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -49.07 -30.19 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.342 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.49 -35.61 24.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.537 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.1 m -83.78 -17.27 41.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.45 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 12' ' ' GLU . 22.3 m -79.73 -22.95 42.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.49 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -93.64 -21.99 19.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.49 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.82 -43.24 47.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.648 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.31 -34.59 68.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.665 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.451 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 13.6 t0 -58.11 -29.54 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.528 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -70.64 -55.34 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 t -82.17 -9.26 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.537 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.0 mtp180 49.79 43.19 24.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 27' ' ' TYR . 1.2 m -138.54 107.77 6.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.535 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -43.92 -39.68 4.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.238 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -53.23 -29.39 32.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.148 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.429 ' N ' ' O ' ' A' ' 24' ' ' THR . 2.8 t80 -72.02 -38.78 69.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.409 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -49.68 -60.02 3.27 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.565 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.73 -37.53 19.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.492 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.439 ' CG ' ' HG1' ' A' ' 37' ' ' THR . 1.4 tp10 -59.08 -25.49 63.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.399 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 t -84.35 -20.18 32.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.419 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.9 -5.2 59.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.371 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.568 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER -151.25 -148.3 0.26 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.686 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.568 ' O ' ' O ' ' A' ' 33' ' ' THR . 4.3 t 42.1 103.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.563 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -3.53 2.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.346 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 34' ' ' SER . 1.4 m -88.43 -60.16 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.466 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.439 ' HG1' ' CG ' ' A' ' 30' ' ' GLU . 18.7 m -65.99 -14.93 62.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.578 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -80.56 -42.27 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.705 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -84.64 -15.82 44.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.769 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -46.43 8.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.686 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.8 t -65.82 -26.5 67.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -31.44 71.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.041 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -79.98 -32.82 39.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.8 mtp -75.13 -8.52 56.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.742 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 mt -81.53 -48.76 11.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.662 ' O ' ' ND1' ' A' ' 46' ' ' HIS . 23.3 p80 -163.03 74.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.525 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.532 ' C ' ' O ' ' A' ' 46' ' ' HIS . 4.0 mt-30 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.52 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 tttt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.874 0.368 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -91.92 -70.54 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.73 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -44.99 -16.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 5' ' ' CYS . 4.5 t70 -66.75 -35.38 79.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.477 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.542 ' C ' ' H ' ' A' ' 10' ' ' ARG . 26.0 m -125.94 105.19 8.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.366 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.2 -5.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.542 ' H ' ' C ' ' A' ' 8' ' ' SER . 3.0 mmt180 -94.01 -19.69 20.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.798 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.04 -24.26 16.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.771 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.496 ' O ' ' OG1' ' A' ' 16' ' ' THR . 3.0 tm-20 -71.31 -41.32 70.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.448 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mm -62.4 -28.41 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.752 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.74 -23.58 45.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.031 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.633 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 84.6 m -94.31 -17.28 22.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.711 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.496 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 1.2 m -77.92 -33.45 51.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.54 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -76.48 -27.27 56.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.474 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.4 m -67.08 -46.47 74.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.446 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.613 ' O ' ' N ' ' A' ' 23' ' ' ARG . 9.2 ptm180 -71.79 -40.85 68.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.464 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.501 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 70.7 m-20 -57.51 -23.67 51.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.439 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -57.8 4.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.221 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.4 t -91.51 -2.29 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.237 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.613 ' N ' ' O ' ' A' ' 19' ' ' ARG . 41.0 mtm180 46.36 42.07 10.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.642 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.7 m -131.49 114.8 15.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.431 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.3 -41.29 12.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.485 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -55.68 -15.73 3.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.62 -10.75 26.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.604 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -79.46 -42.22 25.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.323 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -71.44 -27.24 63.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.194 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -62.66 -15.06 50.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.27 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.675 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 40.8 t -94.75 -38.76 10.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.871 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.6 m -78.04 -4.19 45.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.731 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -167.52 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 p -43.45 147.32 0.41 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -53.53 -17.75 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.092 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -72.35 -55.98 6.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.223 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 m -59.11 -25.31 63.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.19 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.675 ' CZ ' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -66.95 -61.08 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.271 179.696 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -19.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.408 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -78.44 -31.22 47.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.698 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.26 -26.97 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.934 0.397 . . . . 0.0 110.1 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -74.48 -47.01 35.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.9 m -68.33 -35.09 77.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.485 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.77 -29.14 63.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.607 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -53.34 -45.46 69.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.471 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -178.75 49.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.46 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.515 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.7 mttt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.893 0.377 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.468 ' C ' ' H ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -102.39 -48.91 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.374 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -51.98 -12.23 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.378 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.468 ' H ' ' C ' ' A' ' 5' ' ' CYS . 19.2 t0 -81.88 -29.46 32.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.1 t -135.45 104.21 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.143 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 tp -58.25 -41.38 84.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.778 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -57.26 -11.69 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.78 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -41.94 10.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.584 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' O ' ' OG1' ' A' ' 16' ' ' THR . 0.6 OUTLIER -65.89 -23.22 66.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -69.48 -37.52 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.541 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.457 ' CB ' HE22 ' A' ' 42' ' ' GLN . . . -78.43 -21.26 49.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.7 m -85.74 -22.0 27.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.605 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 6.7 m -70.74 -33.99 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.019 0.438 . . . . 0.0 110.201 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 3.5 mptp? -77.61 -16.18 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.299 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.26 -38.25 19.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.671 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -74.61 -32.22 62.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.657 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 5.4 t0 -71.49 -22.66 61.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.685 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.476 ' NH1' ' SD ' ' A' ' 44' ' ' MET . 34.0 ttt180 -67.25 -48.74 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.486 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.8 t -98.28 -6.67 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.495 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mtm-85 47.13 50.64 13.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.638 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.656 ' C ' ' H ' ' A' ' 26' ' ' ASP . 1.7 m -137.06 121.02 17.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -57.15 2.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.614 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.656 ' H ' ' C ' ' A' ' 24' ' ' THR . 8.0 t0 -101.41 -29.51 11.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.735 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -77.51 -13.38 59.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.648 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -75.3 -49.34 19.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.35 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -64.91 -27.29 68.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.239 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.9 -13.13 62.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.773 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.7 t -86.21 -44.71 11.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.991 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.28 -1.7 50.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.144 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.55 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -57.1 -165.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.834 0.35 . . . . 0.0 110.766 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.55 ' O ' ' O ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -47.12 -173.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 -179.7 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -75.37 -46.44 33.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -54.57 -60.88 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.599 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -28.08 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.619 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.27 -63.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.478 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.442 ' O ' ' OG1' ' A' ' 43' ' ' THR . 10.8 mttt -47.66 -40.16 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.342 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.22 -52.26 28.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.21 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -48.21 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.457 HE22 ' CB ' ' A' ' 14' ' ' ALA . 3.5 tp60 -61.49 -21.92 64.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.634 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.601 ' O ' ' N ' ' A' ' 47' ' ' GLN . 87.8 m -71.64 -41.57 68.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.39 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.476 ' SD ' ' NH1' ' A' ' 21' ' ' ARG . 3.9 mtt -76.09 -8.89 58.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.605 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -89.95 -27.65 19.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.701 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -127.79 -24.54 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.984 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.601 ' N ' ' O ' ' A' ' 43' ' ' THR . 6.1 tt0 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.647 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 tptt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.82 0.343 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.624 ' O ' ' N ' ' A' ' 7' ' ' ASP . 12.1 m -99.39 -82.88 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.521 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 5' ' ' CYS . 1.0 OUTLIER -36.2 -24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.366 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.624 ' N ' ' O ' ' A' ' 5' ' ' CYS . 8.9 t0 -57.87 -54.62 44.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.609 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 10' ' ' ARG . 75.7 m -99.14 103.53 15.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.06 -1.92 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.493 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.481 ' H ' ' C ' ' A' ' 8' ' ' SER . 10.3 mtt85 -95.23 -58.33 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.378 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -53.33 -38.71 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.23 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -54.4 -42.29 70.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.276 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.8 mt -64.1 -35.06 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.482 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.94 -14.39 61.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.212 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.4 m -103.82 -16.63 15.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.301 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.6 m -76.86 -28.24 55.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.609 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -92.47 -24.64 18.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.539 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.12 -39.26 55.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.487 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 4.1 ptm180 -68.28 -39.79 82.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.506 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.487 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -67.08 -17.6 64.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.332 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -69.8 -42.59 73.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.494 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.5 t -97.17 -14.51 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.596 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 64.13 27.91 14.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.501 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.4 m -130.16 121.01 25.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.518 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.77 -28.65 50.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.756 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -69.22 -14.28 62.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.663 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -90.26 -7.08 54.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.572 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -82.31 -57.51 3.34 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.436 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.81 -32.35 19.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.667 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -62.74 -28.61 70.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.469 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.474 ' O ' ' CZ ' ' A' ' 38' ' ' PHE . 12.4 t -73.38 -39.8 64.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.18 -16.87 61.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.686 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.734 ' CG2' ' H ' ' A' ' 34' ' ' SER . 6.5 m -134.97 -145.23 0.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.62 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.734 ' H ' ' CG2' ' A' ' 33' ' ' THR . 19.2 t 37.49 88.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.474 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -49.11 -31.16 7.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.53 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -63.13 -62.46 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.673 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.512 ' H ' ' HG ' ' A' ' 34' ' ' SER . 8.9 m -53.4 -38.11 63.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.474 ' CZ ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -45.73 -47.46 15.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.736 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' O ' ' OG1' ' A' ' 43' ' ' THR . 1.4 mmtm -66.31 -45.49 80.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.352 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -60.65 -31.3 70.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.656 0.265 . . . . 0.0 111.365 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.1 m -66.09 -39.91 90.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.921 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -76.66 -34.17 58.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.888 0.375 . . . . 0.0 110.541 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 39' ' ' LYS . 1.1 m -63.9 -26.39 68.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.66 -31.29 15.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.626 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.22 -33.43 75.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.639 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -90.81 -66.61 0.91 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.545 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.48 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.43 ' C ' ' SG ' ' A' ' 32' ' ' CYS . 27.7 mttt . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.8 0.333 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.26 -49.15 2.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.458 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -89.45 -9.77 48.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.476 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.0 -21.4 19.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.642 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.75 114.62 14.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.611 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.55 -19.23 62.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.474 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -49.07 17.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.73 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -55.32 -28.01 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -68.91 -53.62 20.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.935 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.7 mt -49.61 -34.92 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.2 -50.38 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.0 m -59.67 -21.23 60.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.695 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.7 m -77.8 -33.36 52.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.55 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -70.97 -29.39 65.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.565 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.32 -58.6 4.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.701 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.621 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -60.95 -31.23 70.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.691 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 28.1 m-20 -57.45 -31.85 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.428 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 21' ' ' ARG . 17.6 ttm180 -69.72 -58.04 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.268 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.422 HG12 ' CE2' ' A' ' 27' ' ' TYR . 1.3 t -75.57 -19.37 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.089 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.621 ' N ' ' O ' ' A' ' 19' ' ' ARG . 3.1 mtt180 60.74 43.07 12.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.109 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.43 HG21 ' H ' ' A' ' 26' ' ' ASP . 6.6 m -132.44 136.24 46.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.786 0.327 . . . . 0.0 110.526 179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -66.0 -26.98 67.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.593 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.43 ' H ' HG21 ' A' ' 24' ' ' THR . 80.9 m-20 -70.74 -36.47 73.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.585 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.422 ' CE2' HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -64.29 -21.45 66.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.491 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -72.19 -50.4 27.91 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.658 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.22 -13.09 24.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.56 ' O ' ' OG1' ' A' ' 33' ' ' THR . 4.8 tp10 -79.86 -27.29 40.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.588 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.7 -40.41 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.43 ' SG ' ' C ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -73.55 -0.51 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.958 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.56 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -64.4 -152.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.49 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -171.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.468 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -79.79 -38.87 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.562 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 p -47.94 -43.75 29.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.808 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.446 ' H ' ' HG1' ' A' ' 37' ' ' THR . 0.7 OUTLIER -81.1 -33.12 33.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.716 -179.702 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -61.28 -30.43 70.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.779 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -76.06 -41.27 51.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.726 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -60.08 -47.5 85.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.63 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.91 -46.21 10.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -71.33 -45.37 63.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.6 m -58.92 -25.51 63.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.351 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.29 -18.54 36.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.399 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.9 mt -79.66 -21.58 44.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.555 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -103.08 -63.78 1.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.509 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 tttp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.829 0.347 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.6 m -85.03 -65.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.44 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.69 1.63 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.58 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -90.05 -16.64 29.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.528 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.03 106.46 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.573 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.47 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 3.9 mm? -66.33 -5.29 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.532 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -88.23 -55.36 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.868 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -68.24 -32.48 72.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.64 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -55.89 -29.58 60.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.5 mt -85.54 -46.02 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.833 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.8 -41.55 78.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.726 ' SG ' ' CZ ' ' A' ' 28' ' ' PHE . 6.2 t -62.6 -36.03 81.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.668 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.3 m -61.26 -43.22 99.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 110.057 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -58.85 -40.22 83.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.752 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.04 -46.06 86.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.251 -179.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' ARG . 2.2 tmt_? -80.71 -37.65 30.29 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.798 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.57 -18.37 65.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.287 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.2 ttt-85 -78.04 -35.41 49.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.163 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.468 HG23 ' CE2' ' A' ' 27' ' ' TYR . 4.5 t -103.6 -15.2 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.385 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' ARG . 56.8 mtm-85 58.99 46.4 13.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.7 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' TYR . 1.3 m -130.04 105.93 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.551 ' O ' ' OD1' ' A' ' 25' ' ' ASP . 65.7 t0 -46.95 -21.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.575 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -77.12 -28.67 54.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.641 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.468 ' CE2' HG23 ' A' ' 22' ' ' VAL . 1.5 m-85 -65.22 -52.78 52.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.173 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.726 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 14.0 t80 -43.52 -59.13 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.968 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -43.87 -31.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.994 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.59 -29.5 67.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.024 0.44 . . . . 0.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.758 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 12.7 p -71.69 -53.72 12.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.899 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.758 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -64.85 0.06 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 -179.503 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.577 ' CG2' ' H ' ' A' ' 34' ' ' SER . 2.0 m -67.94 -150.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.664 -0.414 . . . . 0.0 109.947 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.577 ' H ' ' CG2' ' A' ' 33' ' ' THR . 0.1 OUTLIER -62.07 171.5 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.272 179.649 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.63 -38.48 58.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -45.98 66.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.476 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.2 m -61.62 -36.28 80.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.399 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -53.68 -52.83 58.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.446 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -49.8 -39.27 37.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.772 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -58.64 6.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.631 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.73 -13.2 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -85.88 -38.51 17.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.327 . . . . 0.0 110.725 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.2 -29.71 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.159 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.75 ' N ' ' SD ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -69.8 -21.74 63.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.148 179.734 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 mt -82.31 -48.3 11.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.433 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -59.17 -56.07 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.475 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.604 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.478 ' HZ1' ' CZ ' ' A' ' 11' ' ' ARG . 10.7 tttm . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.907 0.384 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -105.02 -67.61 0.9 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.392 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.12 -11.9 1.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.186 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -84.34 -49.5 8.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.41 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.471 ' C ' ' H ' ' A' ' 10' ' ' ARG . 7.3 m -90.22 112.8 24.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.36 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.03 -2.9 0.47 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.471 ' H ' ' C ' ' A' ' 8' ' ' SER . 58.0 mtt85 -92.03 -53.62 4.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.655 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.478 ' CZ ' ' HZ1' ' A' ' 4' ' ' LYS . 2.7 mtt-85 -69.32 -13.35 62.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.656 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' A' ' 16' ' ' THR . 47.6 tt0 -76.94 -50.78 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.422 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.71 -37.31 65.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.598 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.16 -24.83 60.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.526 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 11' ' ' ARG . 56.7 m -86.27 -21.72 27.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.285 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -78.3 -53.73 6.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.473 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -47.59 -24.64 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.21 -48.17 18.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.359 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.588 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -78.18 -46.61 20.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.141 179.765 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.433 ' N ' ' HD3' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -45.16 -28.48 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.201 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.9 ttt85 -74.37 -50.09 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.494 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.514 ' CG2' ' CE2' ' A' ' 27' ' ' TYR . 10.6 t -88.06 -5.1 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.736 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.8 OUTLIER 46.27 47.94 13.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.755 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 26' ' ' ASP . 8.1 m -123.71 104.94 9.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.616 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.23 -15.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.47 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 24' ' ' THR . 3.0 t70 -83.66 -47.74 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.406 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.514 ' CE2' ' CG2' ' A' ' 22' ' ' VAL . 2.5 m-85 -44.64 -44.11 8.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.36 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -53.83 -53.84 46.81 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -61.13 -20.29 62.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.753 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.88 -13.31 59.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.73 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 43.4 t -86.38 -36.72 19.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.221 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.499 ' O ' ' O ' ' A' ' 33' ' ' THR . 2.6 t -76.51 -14.25 60.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.712 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.738 ' CG2' ' H ' ' A' ' 34' ' ' SER . 5.7 m -52.42 -164.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.738 ' H ' ' CG2' ' A' ' 33' ' ' THR . 0.0 OUTLIER -50.11 -173.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.902 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.478 ' N ' ' OG ' ' A' ' 34' ' ' SER . 15.2 mt-10 -83.49 -29.48 27.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.667 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.6 m -57.97 -65.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.6 m -52.82 -35.6 57.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.455 ' CD2' ' O ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -53.69 -50.41 65.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.902 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -61.69 -30.02 70.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.294 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -71.73 -45.47 61.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.405 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.2 -44.67 16.3 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.369 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.44 ' N ' ' OE1' ' A' ' 42' ' ' GLN . 1.8 mp0 -71.03 -34.13 70.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.108 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 47' ' ' GLN . 92.9 m -64.96 -37.85 89.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.284 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' HIS . 2.0 mtt -68.39 -48.02 65.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.218 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' MET . 11.1 mt -36.3 -33.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.383 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.467 ' O ' ' O ' ' A' ' 47' ' ' GLN . 5.8 t60 -178.67 67.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.385 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' THR . 1.7 tt0 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.6 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.657 ' C ' ' H ' ' A' ' 6' ' ' GLU . 19.1 tttp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.875 0.369 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.438 ' SG ' ' C ' ' A' ' 4' ' ' LYS . 1.3 m 66.18 -30.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.403 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.657 ' H ' ' C ' ' A' ' 4' ' ' LYS . 18.8 mt-10 -58.92 -28.28 66.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.424 . . . . 0.0 110.086 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -34.95 77.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.237 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m -129.72 84.95 2.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.755 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tp -57.15 -15.02 4.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.157 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -72.09 -19.5 61.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.325 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.451 HH11 ' HG3' ' A' ' 11' ' ' ARG . 38.7 mtt85 -98.35 -17.27 18.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.349 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -78.84 -30.17 45.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.1 mt -72.86 -34.01 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.611 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.05 -48.11 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.159 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.712 ' SG ' ' CE2' ' A' ' 38' ' ' PHE . 57.8 m -61.66 -13.14 19.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.305 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.7 m -78.87 -33.1 46.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.721 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -73.26 -24.13 60.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.481 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -41.91 33.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.546 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 1.6 ptm180 -64.45 -41.2 96.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 0.0 110.339 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -58.31 -24.77 60.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.175 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.25 -31.3 64.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.371 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.452 HG22 ' CD2' ' A' ' 27' ' ' TYR . 14.2 t -106.97 -4.67 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.688 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER 45.19 35.09 1.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.689 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 95.7 m -135.14 121.26 20.05 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.49 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -53.05 -36.04 60.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.668 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -62.01 -21.76 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.452 ' CD2' HG22 ' A' ' 22' ' ' VAL . 1.2 t80 -86.49 -12.95 47.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.529 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -79.7 -56.97 3.9 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.355 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -57.92 -26.35 62.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.013 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.498 ' HA ' ' HG1' ' A' ' 33' ' ' THR . 2.4 mm-40 -62.45 -30.02 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.025 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.532 ' C ' ' H ' ' A' ' 33' ' ' THR . 51.6 t -70.31 -55.41 9.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.653 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 2.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.791 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.532 ' H ' ' C ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER -76.96 -153.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.915 0.388 . . . . 0.0 111.055 -179.758 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.529 ' H ' ' CG2' ' A' ' 33' ' ' THR . 0.1 OUTLIER -33.15 128.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.3 -34.78 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.363 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.71 -32.61 74.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.44 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.0 m -74.05 -29.19 61.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.302 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.712 ' CE2' ' SG ' ' A' ' 15' ' ' CYS . 1.9 t80 -60.32 -41.49 93.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.283 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -79.25 -22.83 44.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.487 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -65.65 -38.0 88.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.364 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.678 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -66.24 -59.78 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.373 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -39.33 -38.47 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.444 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.1 m -72.05 -35.24 69.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.557 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.6 mtt -102.34 5.18 39.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.168 0.509 . . . . 0.0 109.872 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.678 ' N ' ' O ' ' A' ' 41' ' ' CYS . 5.1 tp -115.13 -47.07 2.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.296 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.557 ' O ' ' O ' ' A' ' 47' ' ' GLN . 9.2 t-80 -80.67 -48.1 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.706 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.557 ' O ' ' O ' ' A' ' 46' ' ' HIS . 18.9 mt-30 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.569 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.485 ' C ' ' OD1' ' A' ' 7' ' ' ASP . 3.8 tptm . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.678 0.275 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -109.22 -35.7 6.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -56.34 -27.24 55.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.375 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.485 ' OD1' ' C ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -59.36 -58.83 6.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.17 105.32 17.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.5 mt -45.37 -26.43 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.623 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.38 -45.53 79.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -60.5 -26.73 67.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.516 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -74.89 -37.81 62.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.66 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 mm -66.88 -39.69 84.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.029 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.39 -33.87 67.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.477 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.698 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 65.5 m -75.33 -26.65 58.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.374 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.9 m -71.89 -32.46 67.45 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -71.67 -17.94 62.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.052 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.0 t -79.88 -39.23 30.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.278 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.682 ' O ' ' N ' ' A' ' 23' ' ' ARG . 5.3 ptm180 -74.52 -40.84 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.362 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 25.1 t0 -60.37 -27.87 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.453 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -65.79 -50.6 64.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.314 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.418 HG12 ' CE2' ' A' ' 27' ' ' TYR . 1.8 t -98.13 -5.41 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.314 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.682 ' N ' ' O ' ' A' ' 19' ' ' ARG . 4.5 mtt180 49.97 35.26 9.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.504 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.46 115.12 19.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -48.59 -22.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -74.88 -26.04 59.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.634 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.418 ' CE2' HG12 ' A' ' 22' ' ' VAL . 1.4 m-85 -83.16 -0.83 51.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.674 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -87.59 -49.94 6.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.12 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.93 -21.19 66.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.03 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.82 -20.53 64.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.915 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.693 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 41.2 t -79.8 -59.49 2.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.781 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.582 ' O ' ' O ' ' A' ' 33' ' ' THR . 3.4 t -57.88 -13.79 5.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.829 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.582 ' O ' ' O ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -54.19 -144.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.613 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.17 162.46 28.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -54.87 -43.04 72.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.579 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -48.69 -47.34 40.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.96 -34.97 77.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.698 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -65.11 -45.48 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -65.04 -52.62 54.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.619 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -44.86 -53.54 7.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.509 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.5 t -55.49 -50.24 70.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.465 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -55.2 -24.38 26.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.416 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.83 -42.78 16.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.798 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.53 -10.22 59.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.773 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mt -75.62 -38.55 58.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.869 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.541 ' O ' ' C ' ' A' ' 47' ' ' GLN . 15.1 t-80 -134.1 17.41 3.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.707 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.541 ' C ' ' O ' ' A' ' 46' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.593 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.448 ' H1 ' ' H ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.448 ' H ' ' H1 ' ' A' ' 1' ' ' ALA . 16.7 t70 51.05 19.5 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.672 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -92.86 -46.22 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.378 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.511 ' HZ3' ' NH1' ' A' ' 11' ' ' ARG . 23.3 tttp -153.38 7.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.227 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.6 m -117.71 -62.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.401 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -30.47 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.263 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -55.26 -45.66 76.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.386 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.33 114.92 29.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.406 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.11 -3.7 31.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.682 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.88 -33.97 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.393 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.511 ' NH1' ' HZ3' ' A' ' 4' ' ' LYS . 80.9 mtt180 -74.92 -33.3 61.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.355 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 16' ' ' THR . 19.9 tt0 -60.56 -52.6 64.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.58 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.48 HG21 HD11 ' A' ' 13' ' ' ILE . 54.3 mt -51.0 -26.23 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.431 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.19 -51.13 6.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.485 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.5 m -72.33 -12.75 61.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 12' ' ' GLU . 2.9 m -78.1 -32.82 50.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.519 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -84.55 -23.47 29.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.6 m -69.07 -33.97 74.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.736 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.471 ' HG2' ' CD2' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -75.49 -28.82 59.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.548 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.463 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 17.9 m-20 -84.43 -17.07 40.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.44 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -52.09 27.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.444 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.6 t -95.86 -1.33 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.493 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 51.64 36.01 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.524 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m -129.32 119.88 24.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.563 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.68 -16.07 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.734 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.16 -21.6 49.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.584 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.93 -28.7 55.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.471 ' CD2' ' HG2' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -62.54 -64.72 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.599 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.448 ' O ' ' OG1' ' A' ' 33' ' ' THR . 47.3 t80 -55.31 -31.82 61.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.751 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.91 -11.44 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.722 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.2 t -92.56 -30.31 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.797 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.55 3.68 39.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.863 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -129.01 176.59 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.797 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.459 ' O ' ' O ' ' A' ' 33' ' ' THR . 11.7 t 51.19 170.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.83 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -109.05 -40.17 5.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.562 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -53.28 57.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.9 m -57.05 -28.58 62.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.345 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.58 -43.58 66.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.606 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -30.34 54.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.674 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -72.28 -24.86 61.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -59.94 4.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.56 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.16 -54.48 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.682 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -53.77 -28.54 35.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -20.9 45.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.5 mt -84.19 -41.11 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.456 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.505 ' O ' ' O ' ' A' ' 47' ' ' GLN . 33.6 t-80 -91.14 -29.82 17.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.505 ' O ' ' O ' ' A' ' 46' ' ' HIS . 3.0 pt20 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.589 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.544 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.2 OUTLIER 32.47 36.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.681 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 1' ' ' ALA . 26.3 t70 -76.81 -55.0 5.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.471 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.747 ' HZ1' ' NH2' ' A' ' 11' ' ' ARG . 24.2 tttp -156.75 8.63 0.2 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.263 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.415 ' C ' ' H ' ' A' ' 7' ' ' ASP . 0.8 OUTLIER -133.8 -57.74 0.87 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.668 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.466 ' HB3' ' H ' ' A' ' 2' ' ' ASP . 4.2 tt0 -67.28 -0.77 3.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.907 0.384 . . . . 0.0 110.26 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.607 ' OD1' ' N ' ' A' ' 8' ' ' SER . 32.6 p-10 -89.52 -41.15 12.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.393 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.607 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 48.4 m -100.23 131.72 46.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.515 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.18 -0.25 51.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.603 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.417 ' NH1' ' HG2' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -100.9 -27.08 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.386 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.747 ' NH2' ' HZ1' ' A' ' 4' ' ' LYS . 9.0 mtm180 -96.92 -12.22 23.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.159 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' THR . 8.3 tt0 -82.64 -49.73 9.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.387 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mt -62.35 -23.39 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.132 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.98 -16.29 30.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.541 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.686 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 56.4 m -110.84 -9.85 14.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.487 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 12' ' ' GLU . 43.5 m -88.54 -29.57 19.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.418 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -82.18 -20.5 37.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.468 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.85 -48.19 66.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.699 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.662 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -75.95 -45.92 32.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.365 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 41.1 t0 -44.62 -32.24 1.4 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.329 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -77.25 -48.48 17.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.241 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.515 ' O ' ' OG1' ' A' ' 24' ' ' THR . 3.3 t -82.52 -5.81 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.3 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.662 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER 39.28 48.51 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.732 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.515 ' OG1' ' O ' ' A' ' 22' ' ' VAL . 1.4 m -140.55 112.11 7.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.619 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -46.16 -30.12 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.628 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -66.05 -25.2 66.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.993 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.412 ' CD1' HG12 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -79.45 -44.19 21.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.65 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 16' ' ' THR . 0.6 OUTLIER -50.13 -51.66 41.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.76 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -67.27 -17.19 64.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.666 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -77.66 -12.4 59.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.687 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.52 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 43.2 t -88.89 -45.33 9.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.655 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.64 -0.63 21.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.963 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.47 ' H ' ' HG1' ' A' ' 33' ' ' THR . 0.2 OUTLIER -69.97 -164.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.6 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -36.98 142.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.615 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -52.76 -45.19 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.437 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.8 p -46.49 -51.7 14.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.378 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.5 m -65.29 -31.43 72.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.293 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.686 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 2.0 t80 -62.91 -54.63 35.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.528 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -59.28 -17.17 26.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.744 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -81.74 -36.11 28.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.666 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -22.06 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.531 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -91.37 -26.01 19.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.48 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.4 m -76.05 -28.45 57.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.695 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.0 mtt -79.24 -46.96 16.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.4 mt -51.67 -34.46 38.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.771 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -101.19 -63.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.711 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.553 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.578 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.1 OUTLIER 47.87 41.8 15.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.65 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.499 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -69.9 49.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.946 0.403 . . . . 0.0 110.155 179.751 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 23.9 tttt 71.38 -0.3 3.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.484 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -111.87 -62.25 1.59 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.651 179.69 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -64.33 -15.41 60.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.664 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -66.82 -28.41 68.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.627 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.4 p -150.48 115.45 5.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.733 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.48 -7.82 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -25.15 61.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.238 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 mtm-85 -98.42 -31.37 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.319 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.555 ' O ' ' OG1' ' A' ' 16' ' ' THR . 3.1 tp10 -65.51 -28.36 69.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.551 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.7 mt -86.61 -30.09 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.609 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.9 -21.43 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.982 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 67.1 m -88.48 -3.45 58.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.824 0.345 . . . . 0.0 110.645 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.555 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 2.8 m -87.86 -53.99 4.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.278 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.39 -35.04 37.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.183 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -55.95 17.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.748 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -69.03 -41.55 77.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -51.2 -26.36 6.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.26 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -59.22 2.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.296 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.1 t -78.0 -5.43 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.5 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.7 mtt-85 46.87 38.08 5.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.747 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -126.24 108.67 11.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.495 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 17.8 p30 -46.65 -23.69 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.562 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.662 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 27.1 t70 -67.86 -27.51 66.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.503 ' O ' ' N ' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -69.38 -52.98 21.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.562 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -42.68 -54.26 4.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.277 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -56.29 -30.51 62.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.959 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -69.87 -23.9 63.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.12 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.7 t -82.92 -45.4 14.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.518 ' O ' ' O ' ' A' ' 33' ' ' THR . 2.3 t -71.14 -8.98 57.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.538 ' CG2' ' H ' ' A' ' 34' ' ' SER . 1.7 m -56.64 -146.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.375 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.539 ' H ' ' HG ' ' A' ' 34' ' ' SER . 0.3 OUTLIER -73.26 170.16 15.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.685 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -63.63 -49.51 72.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.92 -40.84 6.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.435 ' H ' ' HG1' ' A' ' 37' ' ' THR . 0.5 OUTLIER -77.85 -29.63 50.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.714 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -55.13 -42.58 73.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.58 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -71.85 -37.98 70.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.484 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -50.57 -51.43 48.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.333 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.28 -47.92 65.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.311 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -57.61 -35.9 71.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.217 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.7 m -59.65 -31.0 69.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.531 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.7 ttt -79.63 -30.22 41.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.728 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.1 mt -73.55 -23.02 59.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.507 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' A' ' 47' ' ' GLN . 61.3 t-80 -107.6 -43.98 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.445 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.558 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.9 OUTLIER 30.93 38.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.565 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 1' ' ' ALA . 1.6 t70 -71.65 -35.56 70.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.543 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.56 -39.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.576 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 30.8 m -97.54 -44.11 6.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.396 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -59.59 -17.66 34.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.48 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -78.89 -33.16 45.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.629 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.77 110.33 11.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.485 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.61 -34.8 69.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.644 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -36.15 82.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.022 0.439 . . . . 0.0 110.083 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -68.95 -25.52 64.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.299 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' CYS . 3.4 tt0 -70.67 -60.73 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.3 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.8 mt -42.57 -26.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.268 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 12' ' ' GLU . . . -74.99 -40.72 60.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.174 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.507 ' N ' ' O ' ' A' ' 12' ' ' GLU . 98.3 m -73.9 -24.38 59.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.389 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.7 m -74.73 -24.93 58.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.353 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -83.87 -22.45 31.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.476 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 m -74.23 -47.61 34.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.288 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.622 ' O ' ' N ' ' A' ' 23' ' ' ARG . 1.8 ptm180 -54.35 -35.82 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.154 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.442 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 6.9 t70 -66.17 -33.06 74.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.481 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.678 ' NE ' ' SD ' ' A' ' 44' ' ' MET . 26.5 ttm105 -60.72 -28.15 68.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.594 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.456 HG13 ' CE2' ' A' ' 27' ' ' TYR . 1.5 t -118.72 -14.89 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.622 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.8 mtp180 57.45 46.11 18.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.817 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 m -146.19 121.97 10.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.766 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -51.15 -33.64 27.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.364 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.53 -15.88 59.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.51 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.456 ' CE2' HG13 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -100.6 4.3 43.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.809 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -93.54 -42.49 9.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 109.924 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -70.23 -22.56 62.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.918 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.06 -25.49 66.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.269 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.6 t -76.46 -46.29 27.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.385 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -3.5 3.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.456 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.488 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -145.87 -150.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.738 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 33' ' ' THR . 41.8 t 32.2 93.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.726 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 36' ' ' SER . 13.2 pt-20 -62.53 -34.55 77.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.195 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -55.89 -60.44 3.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.336 179.792 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.6 m -63.18 -35.66 81.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.406 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -55.11 -55.71 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.414 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -48.43 -47.3 38.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.62 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -60.51 -52.18 66.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.556 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -40.88 13.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.508 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -72.48 -51.33 20.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.366 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 47' ' ' GLN . 2.8 m -48.48 -34.9 11.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.393 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.678 ' SD ' ' NE ' ' A' ' 21' ' ' ARG . 7.7 ttm -76.97 -45.56 27.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.41 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.2 mt -55.86 -12.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.544 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -121.6 -34.65 3.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.569 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.117 -0.945 . . . . 0.0 110.483 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.66 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.443 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 36.57 21.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.585 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.666 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 0.9 OUTLIER -72.83 66.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.586 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.575 ' C ' ' SG ' ' A' ' 32' ' ' CYS . 7.5 mmmt 55.93 2.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.494 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.574 ' O ' ' N ' ' A' ' 7' ' ' ASP . 13.2 m -111.34 -85.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 5' ' ' CYS . 1.5 tt0 -36.82 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.593 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.574 ' N ' ' O ' ' A' ' 5' ' ' CYS . 1.4 m-20 -58.59 -9.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.579 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.588 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.2 p -159.14 86.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.566 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 mt -42.54 -15.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.624 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 8' ' ' SER . 0.7 OUTLIER -78.11 -47.32 18.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.75 -179.734 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -66.93 -17.05 64.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.747 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -72.75 -43.93 62.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.745 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.1 mt -54.79 -55.09 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.85 93.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.722 ' SG ' ' CE2' ' A' ' 28' ' ' PHE . 35.5 t -64.19 -46.49 83.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.698 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.9 m -57.71 -48.25 80.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.308 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -58.02 -23.41 54.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.04 -52.47 9.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.555 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.58 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -72.46 -45.75 58.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.625 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 3.0 t70 -54.24 -15.09 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.148 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -91.55 -29.0 17.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.124 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.408 HG22 ' CD2' ' A' ' 27' ' ' TYR . 2.3 t -105.4 -8.26 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.306 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.58 ' N ' ' O ' ' A' ' 19' ' ' ARG . 13.5 mtm180 48.64 39.7 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.711 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.614 ' C ' ' H ' ' A' ' 26' ' ' ASP . 0.5 OUTLIER -120.54 117.58 27.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.599 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.65 2.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.363 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.614 ' H ' ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -101.75 -39.81 7.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.818 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.408 ' CD2' HG22 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -50.21 -52.97 31.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.568 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.722 ' CE2' ' SG ' ' A' ' 15' ' ' CYS . 16.2 t80 -51.37 -61.05 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.537 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.448 ' O ' ' OG1' ' A' ' 33' ' ' THR . 19.9 t80 -46.8 -35.75 6.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.902 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -70.61 -21.65 62.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.533 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.742 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 3.2 p -75.8 -49.81 17.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.79 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.742 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -72.15 -0.58 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.866 -179.514 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.491 ' CG2' ' H ' ' A' ' 34' ' ' SER . 1.6 m -75.48 -144.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.358 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.491 ' H ' ' CG2' ' A' ' 33' ' ' THR . 0.5 OUTLIER -50.49 162.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.554 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.89 -38.21 76.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.502 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -51.52 57.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.438 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.448 ' H ' ' HG1' ' A' ' 37' ' ' THR . 0.1 OUTLIER -52.74 -49.14 66.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.271 179.811 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -56.67 16.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.502 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.07 -31.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.692 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -68.75 -49.3 59.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.519 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.9 t -39.18 -36.73 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.392 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.51 -43.3 60.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.47 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 40' ' ' LYS . 95.9 m -52.69 -38.72 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.2 ttt -71.25 -45.24 63.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.613 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mt -46.82 -52.29 14.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.555 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -179.1 65.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.566 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.429 ' OXT' ' CD ' ' A' ' 47' ' ' GLN . 6.0 tm0? . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.595 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 1' ' ' ALA . 7.6 p-10 33.85 35.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.634 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.639 ' C ' ' H ' ' A' ' 5' ' ' CYS . 15.7 p-10 -77.22 67.04 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.482 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.6 mttt 59.94 -7.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.725 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.639 ' H ' ' C ' ' A' ' 3' ' ' ASP . 83.2 m -107.55 -70.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.91 -10.27 27.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.355 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -67.66 -40.42 84.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.637 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 p -130.98 106.14 8.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.617 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.7 tp -58.95 -15.27 12.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.385 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -83.08 -43.36 16.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.647 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -24.46 53.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.469 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 15' ' ' CYS . 32.0 tt0 -69.23 -58.61 3.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.614 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.9 mt -46.84 -31.92 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.488 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -33.97 67.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.324 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.522 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 56.5 m -75.92 -17.35 59.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.376 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.0 m -79.08 -47.96 15.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.43 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -54.9 -20.79 9.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.465 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 t -78.07 -53.39 7.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.037 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.628 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -66.56 -33.64 76.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.677 -179.682 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.485 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -68.63 -34.16 75.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.371 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -19.81 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.263 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.539 ' O ' ' C ' ' A' ' 23' ' ' ARG . 2.9 t -119.75 -5.24 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.52 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' A' ' 19' ' ' ARG . 43.2 mtp85 28.49 56.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.642 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.642 ' C ' ' H ' ' A' ' 26' ' ' ASP . 1.0 OUTLIER -110.18 -10.76 14.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.515 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.0 t0 68.21 -25.13 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.19 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.642 ' H ' ' C ' ' A' ' 24' ' ' THR . 2.7 m-20 -88.11 -34.26 17.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.296 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.418 ' O ' ' CB ' ' A' ' 30' ' ' GLU . 1.8 m-85 -53.91 -47.61 70.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.274 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -52.13 -62.97 1.3 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.341 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -50.95 -17.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.236 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 14.5 tt0 -75.99 -24.64 55.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.38 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -43.13 30.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.292 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.566 ' SG ' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -66.94 -3.41 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.472 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.521 ' CG2' ' H ' ' A' ' 34' ' ' SER . 1.1 m -73.88 -152.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.608 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.528 ' HG ' ' H ' ' A' ' 35' ' ' GLU . 31.3 t -66.97 169.47 8.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.434 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.528 ' H ' ' HG ' ' A' ' 34' ' ' SER . 8.8 tt0 -63.81 -37.69 88.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.419 ' HG ' ' H ' ' A' ' 37' ' ' THR . 2.4 p -50.01 -56.5 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.419 ' H ' ' HG ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -61.27 -30.01 70.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.053 -179.599 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.522 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -53.81 -40.23 66.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.05 -179.672 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.558 ' O ' ' OG1' ' A' ' 43' ' ' THR . 1.5 mtpm? -74.12 -41.6 61.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.312 . . . . 0.0 110.99 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -46.53 -43.38 16.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -55.45 14.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.858 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -23.25 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.665 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.558 ' OG1' ' O ' ' A' ' 39' ' ' LYS . 1.7 m -74.6 -43.05 57.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.477 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.546 ' O ' ' O ' ' A' ' 47' ' ' GLN . 1.1 mtp -67.84 -33.64 75.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.386 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.4 -57.37 11.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.493 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -64.74 -29.21 70.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.493 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.546 ' O ' ' O ' ' A' ' 44' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.518 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.557 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 36.36 56.67 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.706 179.731 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -90.38 -44.67 9.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.33 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.424 ' HD2' HH21 ' A' ' 11' ' ' ARG . 2.6 mmmp? -163.25 -25.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.759 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 90.9 m -113.38 -38.22 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.727 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.576 ' OE1' ' N ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -74.53 -14.25 60.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -65.49 -42.4 92.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.675 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -123.36 106.0 10.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.752 -179.835 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.9 mt -42.59 -20.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.587 ' C ' ' H ' ' A' ' 12' ' ' GLU . 16.5 ttm-85 -78.09 -52.78 8.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.494 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.424 HH21 ' HD2' ' A' ' 4' ' ' LYS . 14.5 mmm-85 -62.96 7.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.487 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.587 ' H ' ' C ' ' A' ' 10' ' ' ARG . 25.4 tt0 -100.56 -51.75 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.769 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -52.47 -42.12 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.36 -23.5 67.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.5 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.789 ' SG ' ' CE1' ' A' ' 28' ' ' PHE . 13.1 t -83.81 -28.01 28.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.548 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 m -72.13 -51.86 19.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.461 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -48.12 -23.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.713 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.4 -56.05 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.538 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.565 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.7 OUTLIER -73.42 -37.33 65.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.583 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -58.88 -20.27 49.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.751 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 ttt-85 -83.74 -50.26 8.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.374 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.57 -7.57 10.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.38 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' A' ' 19' ' ' ARG . 3.1 mtt-85 49.76 44.64 24.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.683 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.473 ' C ' ' H ' ' A' ' 26' ' ' ASP . 0.6 OUTLIER -134.32 113.37 11.86 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.75 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -51.27 -12.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.375 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.473 ' H ' ' C ' ' A' ' 24' ' ' THR . 4.6 m-20 -80.09 -22.81 41.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.747 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -76.82 -49.36 15.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.553 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.789 ' CE1' ' SG ' ' A' ' 15' ' ' CYS . 6.6 t80 -44.73 -53.1 7.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.685 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -55.5 -34.81 64.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.031 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.462 ' C ' ' HG1' ' A' ' 33' ' ' THR . 0.1 OUTLIER -67.84 -9.61 45.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.599 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.771 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.8 p -85.91 -52.0 6.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.24 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.771 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -77.92 -3.73 43.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.884 -179.452 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.462 ' HG1' ' C ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -61.25 -169.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.198 179.63 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 p -46.14 166.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.348 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 38' ' ' PHE . 6.6 mp0 -61.02 -58.15 9.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.588 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -38.31 -41.1 0.59 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.598 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.538 ' H ' ' HG1' ' A' ' 37' ' ' THR . 0.0 OUTLIER -71.37 -37.02 71.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.712 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -54.92 -56.5 18.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.38 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -54.53 -30.27 53.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.289 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -61.22 -34.34 74.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.628 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -42.76 67.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.64 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -58.14 -33.18 68.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.52 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -33.72 76.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.419 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 ttt -83.01 -12.17 57.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.393 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.7 mt -79.93 -16.65 54.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.591 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -114.83 -62.57 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.51 179.902 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.669 ' C ' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 40.04 55.6 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.499 . . . . 0.0 110.429 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.618 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 7.4 m-20 -58.84 4.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.154 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.669 ' H ' ' C ' ' A' ' 2' ' ' ASP . 9.9 tttt 91.94 98.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.465 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.506 ' SG ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 55.24 0.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.394 -179.671 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.638 ' H ' ' C ' ' A' ' 4' ' ' LYS . 33.5 mt-10 -104.12 -24.3 13.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.361 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -137.99 25.56 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.487 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.9 p -119.19 126.41 51.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.646 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.579 ' C ' ' H ' ' A' ' 11' ' ' ARG . 5.2 mt -96.79 -61.84 1.35 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.591 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -52.84 -4.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.648 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.579 ' H ' ' C ' ' A' ' 9' ' ' LEU . 11.2 ttt85 -111.81 -28.79 7.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.747 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -76.97 -26.72 54.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.3 mt -78.24 -26.84 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.633 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.4 -25.78 19.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.821 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 90.3 m -86.6 -23.16 25.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.708 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.8 m -79.86 -23.32 42.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.59 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -81.93 -16.04 51.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.2 -40.66 12.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' ARG . 26.7 ptt180 -70.13 -35.48 74.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.708 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 36.7 t70 -64.36 -26.08 68.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.392 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -65.43 -50.44 65.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.368 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.441 ' CG2' ' CD2' ' A' ' 27' ' ' TYR . 1.9 t -97.52 -4.28 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.431 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' ARG . 76.8 mtm-85 50.31 29.27 3.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.573 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.2 m -119.36 122.85 42.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.28 -31.28 61.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.431 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -20.61 66.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.426 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.441 ' CD2' ' CG2' ' A' ' 22' ' ' VAL . 0.6 OUTLIER -89.4 -4.41 58.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.356 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -87.75 -57.2 3.03 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.29 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.49 ' OH ' ' NZ ' ' A' ' 4' ' ' LYS . 6.3 t80 -51.23 -35.92 39.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.427 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.541 ' O ' ' OG1' ' A' ' 33' ' ' THR . 4.2 mm-40 -52.79 -36.77 58.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.484 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.477 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 40.8 t -70.12 -46.44 64.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.784 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.44 ' SG ' ' HD3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -70.97 7.3 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.797 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.541 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -82.99 -159.53 0.34 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.588 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.534 ' O ' ' O ' ' A' ' 33' ' ' THR . 0.3 OUTLIER -46.17 -178.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.56 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -87.47 -11.97 47.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.449 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -77.07 -63.02 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.396 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.97 -16.95 2.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.265 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.477 ' CD2' ' O ' ' A' ' 31' ' ' CYS . 1.2 t80 -63.61 -47.48 81.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.251 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.601 ' O ' ' N ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -63.66 -57.45 10.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.186 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' LYS . 8.0 tttp -39.73 -21.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.955 0.407 . . . . 0.0 110.063 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.601 ' N ' ' O ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -94.47 -51.0 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.27 179.83 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -63.6 -32.68 74.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.388 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.4 m -65.31 -24.2 67.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.513 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.8 mtp -88.17 -14.46 38.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.608 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.48 -36.58 57.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.571 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.414 ' O ' ' CG ' ' A' ' 46' ' ' HIS . 0.6 OUTLIER -167.59 55.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.612 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.54 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.587 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' A' ' 3' ' ' ASP . 1.9 m-20 31.3 33.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.566 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' A' ' 1' ' ' ALA . 0.6 OUTLIER -28.88 -69.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.491 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.629 ' C ' ' H ' ' A' ' 6' ' ' GLU . 1.7 tppp? -177.72 97.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.5 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.452 ' SG ' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 49.94 4.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.56 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.629 ' H ' ' C ' ' A' ' 4' ' ' LYS . 3.0 tt0 -111.55 -23.14 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.314 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -122.98 -25.47 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.718 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.594 ' C ' ' H ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -67.32 83.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.986 0.422 . . . . 0.0 110.357 179.781 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 mp -59.72 4.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.031 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.594 ' H ' ' C ' ' A' ' 8' ' ' SER . 28.6 mtp85 -108.0 -22.99 12.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.773 0.321 . . . . 0.0 110.831 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 mtm-85 -110.41 -7.42 14.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.034 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.509 ' O ' ' OG1' ' A' ' 16' ' ' THR . 8.3 tm-20 -89.01 -26.08 21.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.311 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.2 mt -80.09 -30.94 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.32 -51.43 6.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.0 m -59.8 -15.01 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.509 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 16.9 m -77.71 -33.89 52.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.264 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -79.2 -23.62 43.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.646 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.1 m -74.87 -55.56 5.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 3.8 ptt-85 -56.23 -39.49 72.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.664 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.48 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -60.48 -31.48 70.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -69.42 -47.12 65.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.56 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.6 t -81.66 -26.47 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.525 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' ARG . 30.6 mtp180 64.06 40.6 6.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.1 m -141.9 117.73 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.557 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -23.56 19.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.41 -10.39 59.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.516 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -95.11 -18.24 21.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.59 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.11 -48.97 61.14 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.389 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -58.23 -32.12 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.41 . . . . 0.0 109.933 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.521 ' O ' ' OG1' ' A' ' 33' ' ' THR . 1.3 tt0 -61.84 -24.65 67.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.332 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.502 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 39.3 t -75.51 -36.85 60.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.429 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.39 2.42 28.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.029 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.521 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -69.42 -153.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 0.0 110.848 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 t -51.96 166.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -73.45 -37.31 65.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.577 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.53 -34.93 62.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.428 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -25.24 27.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.367 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 31' ' ' CYS . 2.4 t80 -68.46 -48.88 63.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.575 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -57.83 -45.12 86.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.77 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -54.27 -43.47 71.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.657 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -58.84 -27.51 65.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.572 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -82.1 -25.59 34.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.413 ' H ' ' HG1' ' A' ' 43' ' ' THR . 1.3 m -71.3 -32.66 68.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.339 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 24.3 mtp -82.67 -20.5 36.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.314 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.7 mt -85.65 -17.66 35.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.483 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -99.45 -40.34 7.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.557 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.6 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 42.16 30.38 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.67 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.625 ' C ' ' H ' ' A' ' 5' ' ' CYS . 0.3 OUTLIER -68.87 56.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 68.16 -20.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.434 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.625 ' H ' ' C ' ' A' ' 3' ' ' ASP . 23.2 m -94.71 -79.22 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.339 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -44.13 -27.76 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.367 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -62.12 -62.3 1.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.637 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.527 ' C ' ' H ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -92.38 106.91 18.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.691 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.99 0.88 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.241 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.527 ' H ' ' C ' ' A' ' 8' ' ' SER . 8.7 ttm105 -99.03 -32.53 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.627 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.31 -8.95 58.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -84.63 -38.33 19.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.765 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.439 ' N ' HD12 ' A' ' 13' ' ' ILE . 5.0 mm -65.08 -33.46 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.649 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.61 -45.07 39.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.306 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.4 m -66.51 -21.54 66.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.44 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.8 m -80.27 -49.32 11.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.931 0.396 . . . . 0.0 110.223 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -56.47 -20.41 19.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.292 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.29 -58.91 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.624 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.669 ' O ' ' N ' ' A' ' 23' ' ' ARG . 22.0 ptt180 -56.18 -36.95 68.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 13.8 t70 -56.1 -36.3 68.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.545 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -60.86 -47.73 85.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.489 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -95.59 -8.38 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.425 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.669 ' N ' ' O ' ' A' ' 19' ' ' ARG . 52.7 mtt85 48.75 34.6 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.785 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.628 ' C ' ' H ' ' A' ' 26' ' ' ASP . 1.3 m -117.83 121.67 41.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.512 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.09 0.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.51 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.628 ' H ' ' C ' ' A' ' 24' ' ' THR . 15.3 t0 -96.94 -45.36 6.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.573 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -61.06 -13.31 16.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.497 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -74.43 -63.68 1.19 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.849 0.356 . . . . 0.0 110.145 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -44.89 48.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.119 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -43.48 -27.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.346 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.429 ' C ' ' H ' ' A' ' 33' ' ' THR . 46.5 t -81.06 -50.44 9.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.506 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 3' ' ' ASP . 0.5 OUTLIER -58.33 -6.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.429 ' H ' ' C ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -146.58 -173.09 4.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.949 0.404 . . . . 0.0 110.915 -179.841 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t 50.49 96.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.618 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 36' ' ' SER . 21.1 pt-20 -53.51 -39.12 64.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.525 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.435 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 34.1 t -54.78 -39.43 68.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.491 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.6 m -74.86 -41.43 59.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.403 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.97 -30.27 24.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.376 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.71 -37.07 12.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.394 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.41 -23.51 67.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.4 t -68.37 -62.37 1.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.729 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.667 ' NE2' ' O ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -49.94 -28.02 6.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.74 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.2 m -82.83 -35.64 26.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.719 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -72.18 -7.61 50.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.558 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.1 mt -90.73 -45.15 9.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.476 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -73.42 -26.9 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.532 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.53 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.407 ' H2 ' ' H ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.407 ' H ' ' H2 ' ' A' ' 1' ' ' ALA . 0.9 OUTLIER 54.89 41.06 32.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.749 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.51 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 23.5 t0 -72.98 56.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.138 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.79 0.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.212 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 3' ' ' ASP . 4.3 m -103.47 -80.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.662 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.417 ' H ' ' HB2' ' A' ' 5' ' ' CYS . 4.7 mm-40 -47.37 -21.84 0.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.434 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -64.91 -36.7 85.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.425 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 p -123.15 119.06 29.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.452 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.4 mm? -65.19 -57.32 8.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.732 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -38.51 -46.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.628 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.639 ' NH1' ' CE2' ' A' ' 38' ' ' PHE . 8.4 ttm-85 -59.48 -43.32 93.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -61.64 -34.95 76.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.478 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -69.21 -27.83 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.74 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.93 -41.01 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.621 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.5 m -73.12 -15.32 61.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.5 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 2.7 m -74.32 -30.93 62.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.22 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -80.29 -23.39 40.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.458 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.93 -32.3 67.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.759 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.506 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 0.4 OUTLIER -84.4 -42.75 15.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.582 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 5.7 m-20 -65.96 -16.33 63.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.33 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.443 ' NH2' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -74.14 -44.88 52.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.425 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.17 -11.65 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.665 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 19' ' ' ARG . 7.2 mtp-105 58.99 47.25 12.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.637 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.488 ' CG2' ' H ' ' A' ' 26' ' ' ASP . 2.6 m -137.18 117.21 13.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.5 -13.77 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.7 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.488 ' H ' ' CG2' ' A' ' 24' ' ' THR . 1.1 t0 -85.47 -26.77 26.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.684 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -78.91 -7.51 58.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.779 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -80.78 -62.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.273 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -54.15 -28.38 39.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 0.0 110.026 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.48 -30.69 68.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.393 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.426 ' SG ' ' CE2' ' A' ' 38' ' ' PHE . 51.5 t -74.59 -39.32 62.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.638 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 33' ' ' THR . 1.3 m -71.65 -11.25 60.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.562 ' CG2' ' H ' ' A' ' 34' ' ' SER . 1.6 m -59.27 -151.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.63 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.657 ' OG ' ' N ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -76.47 -173.46 2.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.808 -179.812 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.657 ' N ' ' OG ' ' A' ' 34' ' ' SER . 24.9 mt-10 -75.13 -34.98 61.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.715 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.3 m -50.45 -44.7 55.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.74 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.09 -31.83 50.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.655 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CE2' ' NH1' ' A' ' 11' ' ' ARG . 1.6 t80 -61.03 -33.86 73.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.672 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -67.23 -42.98 83.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.638 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -56.97 -41.78 78.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -43.52 91.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -54.09 -29.73 45.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.518 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.1 m -77.73 -28.98 50.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.436 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.443 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 3.6 mmt -82.22 -46.0 14.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.514 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -50.74 -34.24 26.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.645 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -107.12 -73.07 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.63 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.579 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.654 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.553 ' C ' ' O ' ' A' ' 1' ' ' ALA . 4.2 m-20 25.4 38.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.824 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.654 ' N ' ' O ' ' A' ' 1' ' ' ALA . 6.7 m-20 -78.38 -50.06 12.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.575 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -157.36 -12.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.411 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.3 m -113.12 -57.17 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.357 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.465 ' HB2' ' H ' ' A' ' 2' ' ' ASP . 84.6 mt-10 -67.19 -4.31 10.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.143 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -91.8 -52.24 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.238 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.73 122.58 46.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.379 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.27 -49.85 57.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.771 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.408 ' HG2' ' NH1' ' A' ' 10' ' ' ARG . 14.7 mtp85 -47.69 -25.46 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -75.92 -39.23 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.543 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 16' ' ' THR . 1.6 tt0 -62.83 -55.96 21.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.532 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -49.07 -30.19 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.342 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.49 -35.61 24.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.537 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.1 m -83.78 -17.27 41.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.45 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 12' ' ' GLU . 22.3 m -79.73 -22.95 42.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.49 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -93.64 -21.99 19.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.49 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.82 -43.24 47.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.648 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.31 -34.59 68.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.665 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.451 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 13.6 t0 -58.11 -29.54 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.528 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -70.64 -55.34 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 t -82.17 -9.26 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.537 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.0 mtp180 49.79 43.19 24.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 27' ' ' TYR . 1.2 m -138.54 107.77 6.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.535 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -43.92 -39.68 4.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.238 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -53.23 -29.39 32.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.148 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.429 ' N ' ' O ' ' A' ' 24' ' ' THR . 2.8 t80 -72.02 -38.78 69.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.409 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -49.68 -60.02 3.27 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.565 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.73 -37.53 19.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.492 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' CG ' ' HG1' ' A' ' 37' ' ' THR . 1.4 tp10 -59.08 -25.49 63.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.399 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 t -84.35 -20.18 32.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.419 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.9 -5.2 59.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.371 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.568 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER -151.25 -148.3 0.26 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.686 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.568 ' O ' ' O ' ' A' ' 33' ' ' THR . 4.3 t 42.1 103.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.563 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -3.53 2.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.346 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 34' ' ' SER . 1.4 m -88.43 -60.16 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.466 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.439 ' HG1' ' CG ' ' A' ' 30' ' ' GLU . 18.7 m -65.99 -14.93 62.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.578 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -80.56 -42.27 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.705 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -84.64 -15.82 44.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.769 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -46.43 8.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.686 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.8 t -65.82 -26.5 67.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -31.44 71.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.041 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -79.98 -32.82 39.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.8 mtp -75.13 -8.52 56.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.742 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 mt -81.53 -48.76 11.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.662 ' O ' ' ND1' ' A' ' 46' ' ' HIS . 23.3 p80 -163.03 74.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.525 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.532 ' C ' ' O ' ' A' ' 46' ' ' HIS . 4.0 mt-30 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.52 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 20.2 p-10 -168.31 -55.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.772 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.582 ' C ' ' H ' ' A' ' 5' ' ' CYS . 0.3 OUTLIER 37.09 31.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.998 0.427 . . . . 0.0 110.139 -179.786 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 2' ' ' ASP . 8.6 tttt 72.17 -30.66 0.21 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.413 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.582 ' H ' ' C ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -91.92 -70.54 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.73 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -44.99 -16.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 5' ' ' CYS . 4.5 t70 -66.75 -35.38 79.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.477 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.542 ' C ' ' H ' ' A' ' 10' ' ' ARG . 26.0 m -125.94 105.19 8.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.366 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.2 -5.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.542 ' H ' ' C ' ' A' ' 8' ' ' SER . 3.0 mmt180 -94.01 -19.69 20.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.798 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.04 -24.26 16.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.771 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.496 ' O ' ' OG1' ' A' ' 16' ' ' THR . 3.0 tm-20 -71.31 -41.32 70.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.448 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mm -62.4 -28.41 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.752 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.74 -23.58 45.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.031 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.633 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 84.6 m -94.31 -17.28 22.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.711 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.496 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 1.2 m -77.92 -33.45 51.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.54 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -76.48 -27.27 56.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.474 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.4 m -67.08 -46.47 74.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.446 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.613 ' O ' ' N ' ' A' ' 23' ' ' ARG . 9.2 ptm180 -71.79 -40.85 68.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.464 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.501 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 70.7 m-20 -57.51 -23.67 51.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.439 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -57.8 4.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.221 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.4 t -91.51 -2.29 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.237 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.613 ' N ' ' O ' ' A' ' 19' ' ' ARG . 41.0 mtm180 46.36 42.07 10.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.642 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.7 m -131.49 114.8 15.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.431 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.3 -41.29 12.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.485 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -55.68 -15.73 3.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.62 -10.75 26.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.604 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -79.46 -42.22 25.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.323 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -71.44 -27.24 63.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.194 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -62.66 -15.06 50.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.27 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.675 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 40.8 t -94.75 -38.76 10.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.871 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.6 m -78.04 -4.19 45.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.731 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -167.52 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 p -43.45 147.32 0.41 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -53.53 -17.75 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.092 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -72.35 -55.98 6.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.223 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 m -59.11 -25.31 63.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.19 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.675 ' CZ ' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -66.95 -61.08 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.271 179.696 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -19.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.408 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -78.44 -31.22 47.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.698 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.26 -26.97 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.934 0.397 . . . . 0.0 110.1 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -74.48 -47.01 35.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.9 m -68.33 -35.09 77.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.485 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.77 -29.14 63.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.607 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -53.34 -45.46 69.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.471 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -178.75 49.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.46 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.515 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.467 ' N ' ' OE1' ' A' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 49.62 31.68 4.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.645 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.566 ' CG ' ' H ' ' A' ' 4' ' ' LYS . 14.1 p-10 -61.18 -58.47 8.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.571 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.566 ' H ' ' CG ' ' A' ' 3' ' ' ASP . 29.7 mttt -147.78 -37.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.365 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.468 ' C ' ' H ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -102.39 -48.91 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.374 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' A' ' 1' ' ' ALA . 1.8 mp0 -51.98 -12.23 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.378 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.468 ' H ' ' C ' ' A' ' 5' ' ' CYS . 19.2 t0 -81.88 -29.46 32.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.1 t -135.45 104.21 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.143 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 tp -58.25 -41.38 84.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.778 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -57.26 -11.69 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.78 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -41.94 10.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.584 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' O ' ' OG1' ' A' ' 16' ' ' THR . 0.6 OUTLIER -65.89 -23.22 66.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -69.48 -37.52 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.541 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' CB ' HE22 ' A' ' 42' ' ' GLN . . . -78.43 -21.26 49.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.7 m -85.74 -22.0 27.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.605 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 6.7 m -70.74 -33.99 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.019 0.438 . . . . 0.0 110.201 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 3.5 mptp? -77.61 -16.18 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.299 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.26 -38.25 19.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.671 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -74.61 -32.22 62.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.657 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 5.4 t0 -71.49 -22.66 61.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.685 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.476 ' NH1' ' SD ' ' A' ' 44' ' ' MET . 34.0 ttt180 -67.25 -48.74 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.486 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.8 t -98.28 -6.67 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.495 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mtm-85 47.13 50.64 13.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.638 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.656 ' C ' ' H ' ' A' ' 26' ' ' ASP . 1.7 m -137.06 121.02 17.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -57.15 2.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.614 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.656 ' H ' ' C ' ' A' ' 24' ' ' THR . 8.0 t0 -101.41 -29.51 11.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.735 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -77.51 -13.38 59.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.648 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -75.3 -49.34 19.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.35 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -64.91 -27.29 68.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.239 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.9 -13.13 62.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.773 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.7 t -86.21 -44.71 11.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.991 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.28 -1.7 50.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.144 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.55 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -57.1 -165.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.834 0.35 . . . . 0.0 110.766 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.55 ' O ' ' O ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -47.12 -173.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 -179.7 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -75.37 -46.44 33.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -54.57 -60.88 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.599 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -28.08 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.619 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.27 -63.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.478 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.442 ' O ' ' OG1' ' A' ' 43' ' ' THR . 10.8 mttt -47.66 -40.16 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.342 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.22 -52.26 28.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.21 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -48.21 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.457 HE22 ' CB ' ' A' ' 14' ' ' ALA . 3.5 tp60 -61.49 -21.92 64.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.634 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.601 ' O ' ' N ' ' A' ' 47' ' ' GLN . 87.8 m -71.64 -41.57 68.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.39 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.476 ' SD ' ' NH1' ' A' ' 21' ' ' ARG . 3.9 mtt -76.09 -8.89 58.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.605 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -89.95 -27.65 19.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.701 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -127.79 -24.54 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.984 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.601 ' N ' ' O ' ' A' ' 43' ' ' THR . 6.1 tt0 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.647 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 48.73 34.04 4.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.592 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.631 ' C ' ' H ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -78.65 62.04 3.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.477 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 tptt 68.34 -21.4 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.48 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.631 ' H ' ' C ' ' A' ' 3' ' ' ASP . 12.1 m -99.39 -82.88 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.521 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 5' ' ' CYS . 1.0 OUTLIER -36.2 -24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.366 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.624 ' N ' ' O ' ' A' ' 5' ' ' CYS . 8.9 t0 -57.87 -54.62 44.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.609 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 10' ' ' ARG . 75.7 m -99.14 103.53 15.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.06 -1.92 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.493 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.481 ' H ' ' C ' ' A' ' 8' ' ' SER . 10.3 mtt85 -95.23 -58.33 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.378 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -53.33 -38.71 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.23 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -54.4 -42.29 70.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.276 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.8 mt -64.1 -35.06 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.482 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.94 -14.39 61.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.212 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.4 m -103.82 -16.63 15.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.301 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.6 m -76.86 -28.24 55.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.609 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -92.47 -24.64 18.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.539 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.12 -39.26 55.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.487 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 4.1 ptm180 -68.28 -39.79 82.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.506 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.487 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -67.08 -17.6 64.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.332 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -69.8 -42.59 73.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.494 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.5 t -97.17 -14.51 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.596 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 64.13 27.91 14.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.501 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.4 m -130.16 121.01 25.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.518 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.77 -28.65 50.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.756 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -69.22 -14.28 62.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.663 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -90.26 -7.08 54.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.572 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -82.31 -57.51 3.34 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.436 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.81 -32.35 19.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.667 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -62.74 -28.61 70.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.469 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.474 ' O ' ' CZ ' ' A' ' 38' ' ' PHE . 12.4 t -73.38 -39.8 64.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.18 -16.87 61.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.686 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.734 ' CG2' ' H ' ' A' ' 34' ' ' SER . 6.5 m -134.97 -145.23 0.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.62 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.734 ' H ' ' CG2' ' A' ' 33' ' ' THR . 19.2 t 37.49 88.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.474 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -49.11 -31.16 7.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.53 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -63.13 -62.46 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.673 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.512 ' H ' ' HG ' ' A' ' 34' ' ' SER . 8.9 m -53.4 -38.11 63.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.474 ' CZ ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -45.73 -47.46 15.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.736 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' O ' ' OG1' ' A' ' 43' ' ' THR . 1.4 mmtm -66.31 -45.49 80.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.352 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -60.65 -31.3 70.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.656 0.265 . . . . 0.0 111.365 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.1 m -66.09 -39.91 90.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.921 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -76.66 -34.17 58.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.888 0.375 . . . . 0.0 110.541 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 39' ' ' LYS . 1.1 m -63.9 -26.39 68.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.66 -31.29 15.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.626 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.22 -33.43 75.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.639 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -90.81 -66.61 0.91 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.545 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.48 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.626 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.622 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.5 OUTLIER 46.62 8.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.704 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.667 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 2.5 m-20 -69.23 60.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.528 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.43 ' C ' ' SG ' ' A' ' 32' ' ' CYS . 27.7 mttt 65.9 8.45 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.704 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.667 ' SG ' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -117.26 -49.15 2.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.458 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -89.45 -9.77 48.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.476 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.0 -21.4 19.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.642 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.75 114.62 14.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.611 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.55 -19.23 62.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.474 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -49.07 17.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.73 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -55.32 -28.01 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -68.91 -53.62 20.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.935 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.7 mt -49.61 -34.92 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.2 -50.38 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.0 m -59.67 -21.23 60.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.695 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.7 m -77.8 -33.36 52.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.55 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -70.97 -29.39 65.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.565 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.32 -58.6 4.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.701 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.621 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -60.95 -31.23 70.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.691 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 28.1 m-20 -57.45 -31.85 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.428 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 21' ' ' ARG . 17.6 ttm180 -69.72 -58.04 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.268 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.422 HG12 ' CE2' ' A' ' 27' ' ' TYR . 1.3 t -75.57 -19.37 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.089 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.621 ' N ' ' O ' ' A' ' 19' ' ' ARG . 3.1 mtt180 60.74 43.07 12.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.109 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.43 HG21 ' H ' ' A' ' 26' ' ' ASP . 6.6 m -132.44 136.24 46.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.786 0.327 . . . . 0.0 110.526 179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -66.0 -26.98 67.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.593 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.43 ' H ' HG21 ' A' ' 24' ' ' THR . 80.9 m-20 -70.74 -36.47 73.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.585 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.422 ' CE2' HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -64.29 -21.45 66.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.491 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -72.19 -50.4 27.91 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.658 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.22 -13.09 24.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.56 ' O ' ' OG1' ' A' ' 33' ' ' THR . 4.8 tp10 -79.86 -27.29 40.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.588 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.7 -40.41 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.638 ' SG ' ' O ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER -73.55 -0.51 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.958 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.56 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -64.4 -152.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.49 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -171.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.468 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -79.79 -38.87 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.562 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 p -47.94 -43.75 29.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.808 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.446 ' H ' ' HG1' ' A' ' 37' ' ' THR . 0.7 OUTLIER -81.1 -33.12 33.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.716 -179.702 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -61.28 -30.43 70.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.779 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -76.06 -41.27 51.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.726 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -60.08 -47.5 85.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.63 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.91 -46.21 10.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -71.33 -45.37 63.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.6 m -58.92 -25.51 63.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.351 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.29 -18.54 36.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.399 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.9 mt -79.66 -21.58 44.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.555 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -103.08 -63.78 1.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.509 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 47.98 23.34 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.449 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.554 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 20.8 t70 -83.53 58.05 4.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.72 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.554 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 1.7 tttp 84.33 -25.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.52 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.6 m -85.03 -65.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.44 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.69 1.63 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.58 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -90.05 -16.64 29.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.528 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.03 106.46 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.573 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.47 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 3.9 mm? -66.33 -5.29 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.532 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -88.23 -55.36 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.868 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -68.24 -32.48 72.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.64 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -55.89 -29.58 60.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.5 mt -85.54 -46.02 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.833 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.8 -41.55 78.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.726 ' SG ' ' CZ ' ' A' ' 28' ' ' PHE . 6.2 t -62.6 -36.03 81.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.668 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.3 m -61.26 -43.22 99.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 110.057 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -58.85 -40.22 83.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.752 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.04 -46.06 86.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.251 -179.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' ARG . 2.2 tmt_? -80.71 -37.65 30.29 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.798 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.57 -18.37 65.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.287 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.2 ttt-85 -78.04 -35.41 49.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.163 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.468 HG23 ' CE2' ' A' ' 27' ' ' TYR . 4.5 t -103.6 -15.2 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.385 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' ARG . 56.8 mtm-85 58.99 46.4 13.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.7 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' TYR . 1.3 m -130.04 105.93 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.551 ' O ' ' OD1' ' A' ' 25' ' ' ASP . 65.7 t0 -46.95 -21.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.575 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -77.12 -28.67 54.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.641 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.468 ' CE2' HG23 ' A' ' 22' ' ' VAL . 1.5 m-85 -65.22 -52.78 52.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.173 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.726 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 14.0 t80 -43.52 -59.13 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.968 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -43.87 -31.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.994 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.59 -29.5 67.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.024 0.44 . . . . 0.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.758 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 12.7 p -71.69 -53.72 12.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.899 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.758 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -64.85 0.06 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 -179.503 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.577 ' CG2' ' H ' ' A' ' 34' ' ' SER . 2.0 m -67.94 -150.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.664 -0.414 . . . . 0.0 109.947 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.577 ' H ' ' CG2' ' A' ' 33' ' ' THR . 0.1 OUTLIER -62.07 171.5 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.272 179.649 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.63 -38.48 58.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -45.98 66.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.476 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.2 m -61.62 -36.28 80.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.399 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -53.68 -52.83 58.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.446 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -49.8 -39.27 37.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.772 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -58.64 6.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.631 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.73 -13.2 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -85.88 -38.51 17.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.327 . . . . 0.0 110.725 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.2 -29.71 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.159 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.75 ' N ' ' SD ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -69.8 -21.74 63.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.148 179.734 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 mt -82.31 -48.3 11.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.433 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -59.17 -56.07 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.475 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.604 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.654 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 31.78 66.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.637 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.529 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 63.2 m-20 -97.48 52.61 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.484 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 10.7 tttm 80.45 -14.07 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.354 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -105.02 -67.61 0.9 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.392 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.12 -11.9 1.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.186 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -84.34 -49.5 8.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.41 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.471 ' C ' ' H ' ' A' ' 10' ' ' ARG . 7.3 m -90.22 112.8 24.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.36 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.03 -2.9 0.47 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.471 ' H ' ' C ' ' A' ' 8' ' ' SER . 58.0 mtt85 -92.03 -53.62 4.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.655 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.478 ' CZ ' ' HZ1' ' A' ' 4' ' ' LYS . 2.7 mtt-85 -69.32 -13.35 62.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.656 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' A' ' 16' ' ' THR . 47.6 tt0 -76.94 -50.78 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.422 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.71 -37.31 65.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.598 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.16 -24.83 60.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.526 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 11' ' ' ARG . 56.7 m -86.27 -21.72 27.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.285 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -78.3 -53.73 6.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.473 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -47.59 -24.64 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.21 -48.17 18.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.359 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.588 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -78.18 -46.61 20.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.141 179.765 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' N ' ' HD3' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -45.16 -28.48 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.201 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.9 ttt85 -74.37 -50.09 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.494 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.514 ' CG2' ' CE2' ' A' ' 27' ' ' TYR . 10.6 t -88.06 -5.1 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.736 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.8 OUTLIER 46.27 47.94 13.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.755 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 26' ' ' ASP . 8.1 m -123.71 104.94 9.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.616 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.23 -15.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.47 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 24' ' ' THR . 3.0 t70 -83.66 -47.74 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.406 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.514 ' CE2' ' CG2' ' A' ' 22' ' ' VAL . 2.5 m-85 -44.64 -44.11 8.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.36 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -53.83 -53.84 46.81 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -61.13 -20.29 62.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.753 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.88 -13.31 59.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.73 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 43.4 t -86.38 -36.72 19.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.221 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' A' ' 3' ' ' ASP . 2.6 t -76.51 -14.25 60.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.712 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.738 ' CG2' ' H ' ' A' ' 34' ' ' SER . 5.7 m -52.42 -164.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.738 ' H ' ' CG2' ' A' ' 33' ' ' THR . 0.0 OUTLIER -50.11 -173.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.902 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.478 ' N ' ' OG ' ' A' ' 34' ' ' SER . 15.2 mt-10 -83.49 -29.48 27.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.667 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.6 m -57.97 -65.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.6 m -52.82 -35.6 57.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.455 ' CD2' ' O ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -53.69 -50.41 65.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.902 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -61.69 -30.02 70.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.294 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -71.73 -45.47 61.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.405 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.2 -44.67 16.3 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.369 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.44 ' N ' ' OE1' ' A' ' 42' ' ' GLN . 1.8 mp0 -71.03 -34.13 70.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.108 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 47' ' ' GLN . 92.9 m -64.96 -37.85 89.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.284 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' HIS . 2.0 mtt -68.39 -48.02 65.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.218 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' MET . 11.1 mt -36.3 -33.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.383 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.467 ' O ' ' O ' ' A' ' 47' ' ' GLN . 5.8 t60 -178.67 67.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.385 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' THR . 1.7 tt0 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.6 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.615 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER 32.02 31.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.49 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.615 ' N ' ' O ' ' A' ' 1' ' ' ALA . 0.5 OUTLIER -80.8 -22.51 39.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.657 ' C ' ' H ' ' A' ' 6' ' ' GLU . 19.1 tttp -176.11 114.44 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.602 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.438 ' SG ' ' C ' ' A' ' 4' ' ' LYS . 1.3 m 66.18 -30.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.403 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.657 ' H ' ' C ' ' A' ' 4' ' ' LYS . 18.8 mt-10 -58.92 -28.28 66.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.424 . . . . 0.0 110.086 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -34.95 77.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.237 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m -129.72 84.95 2.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.755 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tp -57.15 -15.02 4.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.157 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -72.09 -19.5 61.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.325 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.451 HH11 ' HG3' ' A' ' 11' ' ' ARG . 38.7 mtt85 -98.35 -17.27 18.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.349 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -78.84 -30.17 45.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.1 mt -72.86 -34.01 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.611 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.05 -48.11 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.159 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.712 ' SG ' ' CE2' ' A' ' 38' ' ' PHE . 57.8 m -61.66 -13.14 19.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.305 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.7 m -78.87 -33.1 46.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.721 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -73.26 -24.13 60.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.481 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -41.91 33.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.546 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 1.6 ptm180 -64.45 -41.2 96.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 0.0 110.339 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -58.31 -24.77 60.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.175 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.25 -31.3 64.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.371 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.452 HG22 ' CD2' ' A' ' 27' ' ' TYR . 14.2 t -106.97 -4.67 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.688 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER 45.19 35.09 1.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.689 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 95.7 m -135.14 121.26 20.05 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.49 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -53.05 -36.04 60.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.668 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -62.01 -21.76 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.452 ' CD2' HG22 ' A' ' 22' ' ' VAL . 1.2 t80 -86.49 -12.95 47.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.529 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -79.7 -56.97 3.9 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.355 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -57.92 -26.35 62.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.013 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.498 ' HA ' ' HG1' ' A' ' 33' ' ' THR . 2.4 mm-40 -62.45 -30.02 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.025 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.532 ' C ' ' H ' ' A' ' 33' ' ' THR . 51.6 t -70.31 -55.41 9.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.653 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 2.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.791 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.532 ' H ' ' C ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER -76.96 -153.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.915 0.388 . . . . 0.0 111.055 -179.758 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.529 ' H ' ' CG2' ' A' ' 33' ' ' THR . 0.1 OUTLIER -33.15 128.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.3 -34.78 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.363 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.71 -32.61 74.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.44 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.0 m -74.05 -29.19 61.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.302 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.712 ' CE2' ' SG ' ' A' ' 15' ' ' CYS . 1.9 t80 -60.32 -41.49 93.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.283 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -79.25 -22.83 44.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.487 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -65.65 -38.0 88.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.364 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.678 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -66.24 -59.78 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.373 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -39.33 -38.47 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.444 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.1 m -72.05 -35.24 69.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.557 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.6 mtt -102.34 5.18 39.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.168 0.509 . . . . 0.0 109.872 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.678 ' N ' ' O ' ' A' ' 41' ' ' CYS . 5.1 tp -115.13 -47.07 2.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.296 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.557 ' O ' ' O ' ' A' ' 47' ' ' GLN . 9.2 t-80 -80.67 -48.1 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.706 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.557 ' O ' ' O ' ' A' ' 46' ' ' HIS . 18.9 mt-30 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.569 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.547 ' H ' ' CB ' ' A' ' 6' ' ' GLU . 9.3 t70 60.33 6.53 1.05 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.423 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER -34.74 -69.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.442 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.485 ' C ' ' OD1' ' A' ' 7' ' ' ASP . 3.8 tptm -149.73 -29.58 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.768 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -109.22 -35.7 6.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.547 ' CB ' ' H ' ' A' ' 2' ' ' ASP . 3.4 mp0 -56.34 -27.24 55.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.375 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.485 ' OD1' ' C ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -59.36 -58.83 6.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.17 105.32 17.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.5 mt -45.37 -26.43 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.623 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.38 -45.53 79.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -60.5 -26.73 67.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.516 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -74.89 -37.81 62.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.66 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 mm -66.88 -39.69 84.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.029 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.39 -33.87 67.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.477 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.698 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 65.5 m -75.33 -26.65 58.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.374 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.9 m -71.89 -32.46 67.45 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -71.67 -17.94 62.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.052 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.0 t -79.88 -39.23 30.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.278 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.682 ' O ' ' N ' ' A' ' 23' ' ' ARG . 5.3 ptm180 -74.52 -40.84 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.362 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 25.1 t0 -60.37 -27.87 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.453 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -65.79 -50.6 64.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.314 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.418 HG12 ' CE2' ' A' ' 27' ' ' TYR . 1.8 t -98.13 -5.41 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.314 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.682 ' N ' ' O ' ' A' ' 19' ' ' ARG . 4.5 mtt180 49.97 35.26 9.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.504 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.46 115.12 19.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -48.59 -22.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -74.88 -26.04 59.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.634 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.418 ' CE2' HG12 ' A' ' 22' ' ' VAL . 1.4 m-85 -83.16 -0.83 51.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.674 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -87.59 -49.94 6.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.12 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.93 -21.19 66.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.03 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.82 -20.53 64.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.915 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.693 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 41.2 t -79.8 -59.49 2.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.781 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.582 ' O ' ' O ' ' A' ' 33' ' ' THR . 3.4 t -57.88 -13.79 5.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.829 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.582 ' O ' ' O ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -54.19 -144.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.613 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.17 162.46 28.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -54.87 -43.04 72.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.579 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -48.69 -47.34 40.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.96 -34.97 77.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.698 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -65.11 -45.48 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -65.04 -52.62 54.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.619 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -44.86 -53.54 7.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.509 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.5 t -55.49 -50.24 70.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.465 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -55.2 -24.38 26.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.416 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.83 -42.78 16.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.798 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.53 -10.22 59.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.773 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mt -75.62 -38.55 58.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.869 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.541 ' O ' ' C ' ' A' ' 47' ' ' GLN . 15.1 t-80 -134.1 17.41 3.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.707 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.541 ' C ' ' O ' ' A' ' 46' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.593 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.3 tttp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.875 0.369 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.6 m -117.71 -62.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.401 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -30.47 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.263 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -55.26 -45.66 76.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.386 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.33 114.92 29.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.406 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.11 -3.7 31.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.682 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.88 -33.97 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.393 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -74.92 -33.3 61.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.355 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 16' ' ' THR . 19.9 tt0 -60.56 -52.6 64.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.58 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 54.3 mt -51.0 -26.23 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.431 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.19 -51.13 6.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.485 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.5 m -72.33 -12.75 61.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 12' ' ' GLU . 2.9 m -78.1 -32.82 50.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.519 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -84.55 -23.47 29.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.6 m -69.07 -33.97 74.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.736 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.464 ' HG2' ' CE2' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -75.49 -28.82 59.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.548 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 17.9 m-20 -84.43 -17.07 40.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.44 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -52.09 27.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.444 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.597 HG21 ' CZ ' ' A' ' 27' ' ' TYR . 39.6 t -95.86 -1.33 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.493 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 51.64 36.01 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.524 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.704 HG22 ' H ' ' A' ' 26' ' ' ASP . 27.7 m -129.32 119.88 24.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.563 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.68 -16.07 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.734 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.704 ' H ' HG22 ' A' ' 24' ' ' THR . 0.5 OUTLIER -78.16 -21.6 49.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.584 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.597 ' CZ ' HG21 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -76.93 -28.7 55.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.384 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.464 ' CE2' ' HG2' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -62.54 -64.72 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.599 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.448 ' O ' ' OG1' ' A' ' 33' ' ' THR . 47.3 t80 -55.31 -31.82 61.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.751 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.91 -11.44 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.722 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.2 t -92.56 -30.31 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.797 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.55 3.68 39.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.863 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -129.01 176.59 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.797 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.459 ' O ' ' O ' ' A' ' 33' ' ' THR . 11.7 t 51.19 170.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.83 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -109.05 -40.17 5.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.562 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -53.28 57.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.9 m -57.05 -28.58 62.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.345 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.58 -43.58 66.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.606 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -30.34 54.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.674 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -72.28 -24.86 61.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -59.94 4.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.56 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -51.16 -54.48 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.682 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -53.77 -28.54 35.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -20.9 45.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.5 mt -84.19 -41.11 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.456 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.505 ' O ' ' O ' ' A' ' 47' ' ' GLN . 33.6 t-80 -91.14 -29.82 17.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.505 ' O ' ' O ' ' A' ' 46' ' ' HIS . 3.0 pt20 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.589 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.615 ' HZ2' ' NH2' ' A' ' 11' ' ' ARG . 24.2 tttp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.884 0.373 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.8 -57.74 0.87 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.668 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.28 -0.77 3.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.907 0.384 . . . . 0.0 110.26 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.607 ' OD1' ' N ' ' A' ' 8' ' ' SER . 32.6 p-10 -89.52 -41.15 12.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.393 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.607 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 48.4 m -100.23 131.72 46.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.515 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.18 -0.25 51.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.603 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.409 ' HG2' ' NH1' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -100.9 -27.08 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.386 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.615 ' NH2' ' HZ2' ' A' ' 4' ' ' LYS . 9.0 mtm180 -96.92 -12.22 23.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.159 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' THR . 8.3 tt0 -82.64 -49.73 9.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.387 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mt -62.35 -23.39 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.132 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.98 -16.29 30.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.541 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.686 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 56.4 m -110.84 -9.85 14.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.487 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 12' ' ' GLU . 43.5 m -88.54 -29.57 19.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.418 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -82.18 -20.5 37.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.468 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.85 -48.19 66.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.699 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.662 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -75.95 -45.92 32.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.365 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 41.1 t0 -44.62 -32.24 1.4 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.329 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -77.25 -48.48 17.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.241 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.569 HG21 ' CD2' ' A' ' 27' ' ' TYR . 3.3 t -82.52 -5.81 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.3 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.662 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER 39.28 48.51 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.732 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.505 ' OG1' ' O ' ' A' ' 22' ' ' VAL . 1.4 m -140.55 112.11 7.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.619 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -46.16 -30.12 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.628 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -66.05 -25.2 66.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.993 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.569 ' CD2' HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -79.45 -44.19 21.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.65 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 16' ' ' THR . 0.6 OUTLIER -50.13 -51.66 41.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.76 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -67.27 -17.19 64.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.666 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -77.66 -12.4 59.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.687 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.52 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 43.2 t -88.89 -45.33 9.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.655 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.64 -0.63 21.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.963 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -69.97 -164.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.6 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -36.98 142.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.615 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -52.76 -45.19 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.437 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.8 p -46.49 -51.7 14.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.378 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.5 m -65.29 -31.43 72.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.293 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.686 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 2.0 t80 -62.91 -54.63 35.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.528 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -59.28 -17.17 26.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.744 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -81.74 -36.11 28.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.666 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -22.06 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.531 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -91.37 -26.01 19.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.48 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.4 m -76.05 -28.45 57.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.695 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.0 mtt -79.24 -46.96 16.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 45' ' ' LEU . 23.4 mt -51.67 -34.46 38.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.771 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -101.19 -63.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.711 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.553 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.457 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 23.9 tttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.736 0.303 . . . . 0.0 110.484 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.87 -62.25 1.59 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.651 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -64.33 -15.41 60.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.664 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -66.82 -28.41 68.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.627 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.4 p -150.48 115.45 5.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.733 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.48 -7.82 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -25.15 61.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.238 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 mtm-85 -98.42 -31.37 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.319 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.555 ' O ' ' OG1' ' A' ' 16' ' ' THR . 3.1 tp10 -65.51 -28.36 69.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.551 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.7 mt -86.61 -30.09 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.609 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.9 -21.43 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.982 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 67.1 m -88.48 -3.45 58.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.824 0.345 . . . . 0.0 110.645 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.555 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 2.8 m -87.86 -53.99 4.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.278 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.39 -35.04 37.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.183 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -55.95 17.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.748 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -69.03 -41.55 77.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -51.2 -26.36 6.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.26 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -59.22 2.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.296 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.562 HG21 ' CE2' ' A' ' 27' ' ' TYR . 3.1 t -78.0 -5.43 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.5 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.7 mtt-85 46.87 38.08 5.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.747 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -126.24 108.67 11.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.495 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 17.8 p30 -46.65 -23.69 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.562 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.662 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 27.1 t70 -67.86 -27.51 66.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.562 ' CE2' HG21 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -69.38 -52.98 21.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.562 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -42.68 -54.26 4.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.277 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -56.29 -30.51 62.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.959 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -69.87 -23.9 63.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.12 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.7 t -82.92 -45.4 14.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.518 ' O ' ' O ' ' A' ' 33' ' ' THR . 2.3 t -71.14 -8.98 57.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.721 HG22 ' H ' ' A' ' 34' ' ' SER . 1.7 m -56.64 -146.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.375 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.721 ' H ' HG22 ' A' ' 33' ' ' THR . 0.3 OUTLIER -73.26 170.16 15.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.685 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -63.63 -49.51 72.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.92 -40.84 6.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.85 -29.63 50.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.714 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -55.13 -42.58 73.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.58 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -71.85 -37.98 70.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.484 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -50.57 -51.43 48.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.333 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.28 -47.92 65.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.311 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -57.61 -35.9 71.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.217 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.7 m -59.65 -31.0 69.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.531 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.7 ttt -79.63 -30.22 41.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.728 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.1 mt -73.55 -23.02 59.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.507 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' A' ' 47' ' ' GLN . 61.3 t-80 -107.6 -43.98 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.445 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.558 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.874 0.369 . . . . 0.0 110.576 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 30.8 m -97.54 -44.11 6.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.396 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -59.59 -17.66 34.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.48 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -78.89 -33.16 45.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.629 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.77 110.33 11.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.485 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.61 -34.8 69.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.644 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -36.15 82.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.022 0.439 . . . . 0.0 110.083 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -68.95 -25.52 64.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.299 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' CYS . 3.4 tt0 -70.67 -60.73 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.3 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.8 mt -42.57 -26.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.268 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 12' ' ' GLU . . . -74.99 -40.72 60.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.174 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.507 ' N ' ' O ' ' A' ' 12' ' ' GLU . 98.3 m -73.9 -24.38 59.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.389 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.7 m -74.73 -24.93 58.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.353 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -83.87 -22.45 31.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.476 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 m -74.23 -47.61 34.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.288 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.622 ' O ' ' N ' ' A' ' 23' ' ' ARG . 1.8 ptm180 -54.35 -35.82 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.154 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.442 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 6.9 t70 -66.17 -33.06 74.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.481 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.678 ' NE ' ' SD ' ' A' ' 44' ' ' MET . 26.5 ttm105 -60.72 -28.15 68.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.594 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.548 HG11 ' CD2' ' A' ' 27' ' ' TYR . 1.5 t -118.72 -14.89 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.622 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.8 mtp180 57.45 46.11 18.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.817 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 m -146.19 121.97 10.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.766 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -51.15 -33.64 27.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.364 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.53 -15.88 59.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.51 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.548 ' CD2' HG11 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -100.6 4.3 43.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.809 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -93.54 -42.49 9.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 109.924 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -70.23 -22.56 62.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.918 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.06 -25.49 66.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.269 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.6 t -76.46 -46.29 27.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.385 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -3.5 3.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.456 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.488 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -145.87 -150.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.738 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 33' ' ' THR . 41.8 t 32.2 93.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.726 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 36' ' ' SER . 13.2 pt-20 -62.53 -34.55 77.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.195 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -55.89 -60.44 3.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.336 179.792 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.6 m -63.18 -35.66 81.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.406 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -55.11 -55.71 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.414 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -48.43 -47.3 38.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.62 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -60.51 -52.18 66.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.556 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -40.88 13.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.508 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -72.48 -51.33 20.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.366 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 47' ' ' GLN . 2.8 m -48.48 -34.9 11.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.393 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.678 ' SD ' ' NE ' ' A' ' 21' ' ' ARG . 7.7 ttm -76.97 -45.56 27.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.41 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 45' ' ' LEU . 15.2 mt -55.86 -12.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.544 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -121.6 -34.65 3.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.569 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.117 -0.945 . . . . 0.0 110.483 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.575 ' C ' ' SG ' ' A' ' 32' ' ' CYS . 7.5 mmmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.749 0.309 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.574 ' O ' ' N ' ' A' ' 7' ' ' ASP . 13.2 m -111.34 -85.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 5' ' ' CYS . 1.5 tt0 -36.82 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.593 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.574 ' N ' ' O ' ' A' ' 5' ' ' CYS . 1.4 m-20 -58.59 -9.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.579 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.588 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.2 p -159.14 86.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.566 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.407 HD23 ' OE1' ' A' ' 12' ' ' GLU . 6.1 mt -42.54 -15.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.624 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 8' ' ' SER . 0.7 OUTLIER -78.11 -47.32 18.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.75 -179.734 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -66.93 -17.05 64.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.747 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.407 ' OE1' HD23 ' A' ' 9' ' ' LEU . 20.9 tt0 -72.75 -43.93 62.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.745 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.1 mt -54.79 -55.09 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.85 93.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.722 ' SG ' ' CE2' ' A' ' 28' ' ' PHE . 35.5 t -64.19 -46.49 83.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.698 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.9 m -57.71 -48.25 80.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.308 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -58.02 -23.41 54.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.487 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -77.04 -52.47 9.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.555 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.58 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -72.46 -45.75 58.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.625 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.419 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 3.0 t70 -54.24 -15.09 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.148 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -91.55 -29.0 17.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.124 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.78 HG21 ' CE2' ' A' ' 27' ' ' TYR . 2.3 t -105.4 -8.26 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.306 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.58 ' N ' ' O ' ' A' ' 19' ' ' ARG . 13.5 mtm180 48.64 39.7 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.711 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.571 ' C ' ' H ' ' A' ' 26' ' ' ASP . 0.5 OUTLIER -120.54 117.58 27.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.599 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.65 2.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.363 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.571 ' H ' ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -101.75 -39.81 7.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.818 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.78 ' CE2' HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -50.21 -52.97 31.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.568 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.722 ' CE2' ' SG ' ' A' ' 15' ' ' CYS . 16.2 t80 -51.37 -61.05 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.537 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.447 ' O ' ' OG1' ' A' ' 33' ' ' THR . 19.9 t80 -46.8 -35.75 6.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.902 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -70.61 -21.65 62.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.533 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.742 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 3.2 p -75.8 -49.81 17.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.79 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.742 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -72.15 -0.58 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.866 -179.514 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.657 HG22 ' H ' ' A' ' 34' ' ' SER . 1.6 m -75.48 -144.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.358 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.657 ' H ' HG22 ' A' ' 33' ' ' THR . 0.5 OUTLIER -50.49 162.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.554 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.89 -38.21 76.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.502 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -51.52 57.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.438 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.74 -49.14 66.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.271 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -56.67 16.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.502 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.07 -31.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.692 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -68.75 -49.3 59.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.519 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.9 t -39.18 -36.73 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.392 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.51 -43.3 60.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.47 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 40' ' ' LYS . 95.9 m -52.69 -38.72 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.2 ttt -71.25 -45.24 63.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.613 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mt -46.82 -52.29 14.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.555 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -179.1 65.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.566 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.429 ' OXT' ' CD ' ' A' ' 47' ' ' GLN . 6.0 tm0? . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.595 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.6 mttt . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.755 0.312 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 83.2 m -107.55 -70.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.566 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.91 -10.27 27.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.355 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -67.66 -40.42 84.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.637 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 p -130.98 106.14 8.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.617 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 9' ' ' LEU . 14.7 tp -58.95 -15.27 12.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.385 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -83.08 -43.36 16.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.647 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -24.46 53.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.469 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 15' ' ' CYS . 32.0 tt0 -69.23 -58.61 3.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.614 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.9 mt -46.84 -31.92 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.488 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -33.97 67.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.324 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.522 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 56.5 m -75.92 -17.35 59.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.376 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.0 m -79.08 -47.96 15.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.43 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.42 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -54.9 -20.79 9.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.465 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 t -78.07 -53.39 7.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.037 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.628 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -66.56 -33.64 76.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.677 -179.682 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -68.63 -34.16 75.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.371 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -19.81 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.263 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.539 ' O ' ' C ' ' A' ' 23' ' ' ARG . 2.9 t -119.75 -5.24 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.52 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' A' ' 19' ' ' ARG . 43.2 mtp85 28.49 56.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.642 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.628 ' C ' ' H ' ' A' ' 26' ' ' ASP . 1.0 OUTLIER -110.18 -10.76 14.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.515 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.0 t0 68.21 -25.13 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.19 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.628 ' H ' ' C ' ' A' ' 24' ' ' THR . 2.7 m-20 -88.11 -34.26 17.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.296 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.418 ' O ' ' CB ' ' A' ' 30' ' ' GLU . 1.8 m-85 -53.91 -47.61 70.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.274 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -52.13 -62.97 1.3 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.341 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -50.95 -17.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.236 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 14.5 tt0 -75.99 -24.64 55.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.38 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -43.13 30.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.292 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -3.41 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.472 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.751 HG22 ' H ' ' A' ' 34' ' ' SER . 1.1 m -73.88 -152.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.608 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.751 ' H ' HG22 ' A' ' 33' ' ' THR . 31.3 t -66.97 169.47 8.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.434 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -63.81 -37.69 88.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 p -50.01 -56.5 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -30.01 70.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.053 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.522 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -53.81 -40.23 66.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.05 -179.672 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.533 ' O ' ' OG1' ' A' ' 43' ' ' THR . 1.5 mtpm? -74.12 -41.6 61.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.312 . . . . 0.0 110.99 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -46.53 -43.38 16.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -55.45 14.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.858 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -23.25 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.665 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.533 ' OG1' ' O ' ' A' ' 39' ' ' LYS . 1.7 m -74.6 -43.05 57.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.477 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.546 ' O ' ' O ' ' A' ' 47' ' ' GLN . 1.1 mtp -67.84 -33.64 75.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.386 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.4 -57.37 11.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.493 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -64.74 -29.21 70.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.493 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.546 ' O ' ' O ' ' A' ' 44' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.518 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.452 ' HD2' HH21 ' A' ' 11' ' ' ARG . 2.6 mmmp? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.673 0.273 . . . . 0.0 110.759 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 90.9 m -113.38 -38.22 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.727 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.576 ' OE1' ' N ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -74.53 -14.25 60.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -65.49 -42.4 92.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.675 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -123.36 106.0 10.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.752 -179.835 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.9 mt -42.59 -20.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.572 ' C ' ' H ' ' A' ' 12' ' ' GLU . 16.5 ttm-85 -78.09 -52.78 8.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.494 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.452 HH21 ' HD2' ' A' ' 4' ' ' LYS . 14.5 mmm-85 -62.96 7.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.487 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.572 ' H ' ' C ' ' A' ' 10' ' ' ARG . 25.4 tt0 -100.56 -51.75 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.769 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -52.47 -42.12 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.36 -23.5 67.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.5 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.789 ' SG ' ' CE1' ' A' ' 28' ' ' PHE . 13.1 t -83.81 -28.01 28.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.548 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 m -72.13 -51.86 19.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.461 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -48.12 -23.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.713 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.4 -56.05 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.538 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.565 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.7 OUTLIER -73.42 -37.33 65.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.583 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -58.88 -20.27 49.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.751 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 ttt-85 -83.74 -50.26 8.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.374 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.661 HG21 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -86.57 -7.57 10.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.38 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' A' ' 19' ' ' ARG . 3.1 mtt-85 49.76 44.64 24.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.683 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 26' ' ' ASP . 0.6 OUTLIER -134.32 113.37 11.86 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.75 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -51.27 -12.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.375 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.452 ' N ' ' C ' ' A' ' 24' ' ' THR . 4.6 m-20 -80.09 -22.81 41.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.747 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.661 ' CE2' HG21 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -76.82 -49.36 15.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.553 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.789 ' CE1' ' SG ' ' A' ' 15' ' ' CYS . 6.6 t80 -44.73 -53.1 7.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.685 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -55.5 -34.81 64.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.031 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' O ' ' OG1' ' A' ' 33' ' ' THR . 0.1 OUTLIER -67.84 -9.61 45.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.599 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.771 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.8 p -85.91 -52.0 6.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.24 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.771 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -77.92 -3.73 43.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.884 -179.452 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -61.25 -169.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.198 179.63 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 p -46.14 166.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.348 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 38' ' ' PHE . 6.6 mp0 -61.02 -58.15 9.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.588 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -38.31 -41.1 0.59 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.598 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -37.02 71.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.712 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -54.92 -56.5 18.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.38 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -54.53 -30.27 53.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.289 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -61.22 -34.34 74.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.628 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -42.76 67.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.64 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.651 ' HA ' HD12 ' A' ' 45' ' ' LEU . 26.5 tt0 -58.14 -33.18 68.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.52 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -33.72 76.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.419 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 ttt -83.01 -12.17 57.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.393 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 42' ' ' GLN . 68.7 mt -79.93 -16.65 54.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.591 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -114.83 -62.57 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.51 179.902 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.585 ' C ' ' H ' ' A' ' 6' ' ' GLU . 9.9 tttt . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.947 0.403 . . . . 0.0 110.465 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.506 ' SG ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 55.24 0.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.394 -179.671 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.585 ' H ' ' C ' ' A' ' 4' ' ' LYS . 33.5 mt-10 -104.12 -24.3 13.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.361 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -137.99 25.56 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.487 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.9 p -119.19 126.41 51.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.646 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.55 ' C ' ' H ' ' A' ' 11' ' ' ARG . 5.2 mt -96.79 -61.84 1.35 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.591 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -52.84 -4.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.648 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.55 ' H ' ' C ' ' A' ' 9' ' ' LEU . 11.2 ttt85 -111.81 -28.79 7.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.747 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -76.97 -26.72 54.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.3 mt -78.24 -26.84 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.633 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.4 -25.78 19.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.821 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 90.3 m -86.6 -23.16 25.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.708 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.8 m -79.86 -23.32 42.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.59 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -81.93 -16.04 51.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.2 -40.66 12.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' ARG . 26.7 ptt180 -70.13 -35.48 74.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.708 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 36.7 t70 -64.36 -26.08 68.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.392 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -65.43 -50.44 65.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.368 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.811 HG21 ' CD2' ' A' ' 27' ' ' TYR . 1.9 t -97.52 -4.28 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.431 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' ARG . 76.8 mtm-85 50.31 29.27 3.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.573 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 26' ' ' ASP . 7.2 m -119.36 122.85 42.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.28 -31.28 61.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.431 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.415 ' H ' HG22 ' A' ' 24' ' ' THR . 0.4 OUTLIER -65.49 -20.61 66.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.426 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.811 ' CD2' HG21 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -89.4 -4.41 58.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.356 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -87.75 -57.2 3.03 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.29 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -51.23 -35.92 39.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.427 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.541 ' O ' ' OG1' ' A' ' 33' ' ' THR . 4.2 mm-40 -52.79 -36.77 58.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.484 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.477 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 40.8 t -70.12 -46.44 64.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.784 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.466 ' HA ' ' HE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -70.97 7.3 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.797 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.541 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -82.99 -159.53 0.34 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.588 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.534 ' O ' ' O ' ' A' ' 33' ' ' THR . 0.3 OUTLIER -46.17 -178.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.56 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -87.47 -11.97 47.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.449 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -77.07 -63.02 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.396 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.97 -16.95 2.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.265 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.477 ' CD2' ' O ' ' A' ' 31' ' ' CYS . 1.2 t80 -63.61 -47.48 81.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.251 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.601 ' O ' ' N ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -63.66 -57.45 10.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.186 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' LYS . 8.0 tttp -39.73 -21.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.955 0.407 . . . . 0.0 110.063 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.601 ' N ' ' O ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -94.47 -51.0 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.27 179.83 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -63.6 -32.68 74.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.388 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.4 m -65.31 -24.2 67.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.513 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.8 mtp -88.17 -14.46 38.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.608 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 45' ' ' LEU . 6.3 mt -76.48 -36.58 57.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.571 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.414 ' O ' ' CG ' ' A' ' 46' ' ' HIS . 0.6 OUTLIER -167.59 55.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.612 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.54 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.601 ' C ' ' H ' ' A' ' 6' ' ' GLU . 1.7 tppp? . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.9 0.381 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.465 ' SG ' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 49.94 4.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.56 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.601 ' H ' ' C ' ' A' ' 4' ' ' LYS . 3.0 tt0 -111.55 -23.14 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.314 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -122.98 -25.47 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.718 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.547 ' C ' ' H ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -67.32 83.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.986 0.422 . . . . 0.0 110.357 179.781 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 mp -59.72 4.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.031 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.547 ' H ' ' C ' ' A' ' 8' ' ' SER . 28.6 mtp85 -108.0 -22.99 12.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.773 0.321 . . . . 0.0 110.831 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 mtm-85 -110.41 -7.42 14.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.034 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.439 ' O ' ' OG1' ' A' ' 16' ' ' THR . 8.3 tm-20 -89.01 -26.08 21.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.311 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.2 mt -80.09 -30.94 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.32 -51.43 6.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.0 m -59.8 -15.01 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 16.9 m -77.71 -33.89 52.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.264 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -79.2 -23.62 43.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.646 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.531 ' SG ' HD11 ' A' ' 45' ' ' LEU . 2.1 m -74.87 -55.56 5.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 3.8 ptt-85 -56.23 -39.49 72.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.664 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.48 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -60.48 -31.48 70.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -69.42 -47.12 65.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.56 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.603 HG21 ' CD1' ' A' ' 27' ' ' TYR . 16.6 t -81.66 -26.47 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.525 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' ARG . 30.6 mtp180 64.06 40.6 6.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.619 HG22 ' H ' ' A' ' 26' ' ' ASP . 18.1 m -141.9 117.73 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.557 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -23.56 19.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.619 ' H ' HG22 ' A' ' 24' ' ' THR . 1.1 t70 -79.41 -10.39 59.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.516 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.603 ' CD1' HG21 ' A' ' 22' ' ' VAL . 21.8 t80 -95.11 -18.24 21.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.59 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.11 -48.97 61.14 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.389 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -58.23 -32.12 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.41 . . . . 0.0 109.933 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.521 ' O ' ' OG1' ' A' ' 33' ' ' THR . 1.3 tt0 -61.84 -24.65 67.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.332 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.502 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 39.3 t -75.51 -36.85 60.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.429 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.39 2.42 28.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.029 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.521 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -69.42 -153.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 0.0 110.848 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 t -51.96 166.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -73.45 -37.31 65.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.577 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.53 -34.93 62.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.428 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -25.24 27.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.367 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 31' ' ' CYS . 2.4 t80 -68.46 -48.88 63.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.575 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -57.83 -45.12 86.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.77 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -54.27 -43.47 71.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.657 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -58.84 -27.51 65.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.572 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -82.1 -25.59 34.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -71.3 -32.66 68.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.339 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 24.3 mtp -82.67 -20.5 36.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.314 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.531 HD11 ' SG ' ' A' ' 18' ' ' CYS . 80.7 mt -85.65 -17.66 35.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.483 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -99.45 -40.34 7.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.557 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.6 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.893 0.378 . . . . 0.0 110.434 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.2 m -94.71 -79.22 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.339 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -44.13 -27.76 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.367 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -62.12 -62.3 1.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.637 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -92.38 106.91 18.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.691 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.99 0.88 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.241 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.499 ' H ' ' C ' ' A' ' 8' ' ' SER . 8.7 ttm105 -99.03 -32.53 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.627 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.31 -8.95 58.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -84.63 -38.33 19.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.765 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.453 ' N ' HD13 ' A' ' 13' ' ' ILE . 5.0 mm -65.08 -33.46 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.649 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.61 -45.07 39.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.306 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.4 m -66.51 -21.54 66.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.44 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.8 m -80.27 -49.32 11.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.931 0.396 . . . . 0.0 110.223 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -56.47 -20.41 19.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.292 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.29 -58.91 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.624 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.669 ' O ' ' N ' ' A' ' 23' ' ' ARG . 22.0 ptt180 -56.18 -36.95 68.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 13.8 t70 -56.1 -36.3 68.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.545 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -60.86 -47.73 85.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.489 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.497 HG21 ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -95.59 -8.38 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.425 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.669 ' N ' ' O ' ' A' ' 19' ' ' ARG . 52.7 mtt85 48.75 34.6 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.785 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.605 ' C ' ' H ' ' A' ' 26' ' ' ASP . 1.3 m -117.83 121.67 41.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.512 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.09 0.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.51 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.605 ' H ' ' C ' ' A' ' 24' ' ' THR . 15.3 t0 -96.94 -45.36 6.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.573 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.497 ' CD2' HG21 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -61.06 -13.31 16.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.497 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -74.43 -63.68 1.19 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.849 0.356 . . . . 0.0 110.145 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -44.89 48.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.119 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.556 ' HB3' HG21 ' A' ' 37' ' ' THR . 3.2 tt0 -43.48 -27.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.346 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.5 t -81.06 -50.44 9.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.506 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.33 -6.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.58 -173.09 4.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.949 0.404 . . . . 0.0 110.915 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t 50.49 96.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.618 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 36' ' ' SER . 21.1 pt-20 -53.51 -39.12 64.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.525 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.435 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 34.1 t -54.78 -39.43 68.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.491 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.556 HG21 ' HB3' ' A' ' 30' ' ' GLU . 63.6 m -74.86 -41.43 59.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.403 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.97 -30.27 24.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.376 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.71 -37.07 12.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.394 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.41 -23.51 67.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.4 t -68.37 -62.37 1.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.729 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.517 ' OE1' ' O ' ' A' ' 42' ' ' GLN . 1.6 tm0? -49.94 -28.02 6.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.74 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.2 m -82.83 -35.64 26.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.719 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -72.18 -7.61 50.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.558 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 45' ' ' LEU . 27.1 mt -90.73 -45.15 9.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.476 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -73.42 -26.9 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.532 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.53 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.926 0.393 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.3 m -103.47 -80.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.662 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -47.37 -21.84 0.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.434 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -64.91 -36.7 85.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.425 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 p -123.15 119.06 29.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.452 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.4 mm? -65.19 -57.32 8.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.732 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -38.51 -46.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.628 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.639 ' NH1' ' CE2' ' A' ' 38' ' ' PHE . 8.4 ttm-85 -59.48 -43.32 93.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -61.64 -34.95 76.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.478 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -69.21 -27.83 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.74 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.93 -41.01 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.621 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.5 m -73.12 -15.32 61.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.5 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -74.32 -30.93 62.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.22 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -80.29 -23.39 40.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.458 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.93 -32.3 67.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.759 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.506 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 0.4 OUTLIER -84.4 -42.75 15.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.582 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 5.7 m-20 -65.96 -16.33 63.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.33 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.443 ' NH2' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -74.14 -44.88 52.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.425 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.17 -11.65 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.665 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 19' ' ' ARG . 7.2 mtp-105 58.99 47.25 12.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.637 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.768 HG22 ' H ' ' A' ' 26' ' ' ASP . 2.6 m -137.18 117.21 13.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.5 -13.77 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.7 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.768 ' H ' HG22 ' A' ' 24' ' ' THR . 1.1 t0 -85.47 -26.77 26.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.684 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -78.91 -7.51 58.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.779 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -80.78 -62.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.273 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -54.15 -28.38 39.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 0.0 110.026 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.48 -30.69 68.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.393 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.426 ' SG ' ' CE2' ' A' ' 38' ' ' PHE . 51.5 t -74.59 -39.32 62.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.638 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 33' ' ' THR . 1.3 m -71.65 -11.25 60.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.791 HG22 ' H ' ' A' ' 34' ' ' SER . 1.6 m -59.27 -151.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.63 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.791 ' H ' HG22 ' A' ' 33' ' ' THR . 0.8 OUTLIER -76.47 -173.46 2.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.808 -179.812 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.657 ' N ' ' OG ' ' A' ' 34' ' ' SER . 24.9 mt-10 -75.13 -34.98 61.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.715 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.3 m -50.45 -44.7 55.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.74 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.09 -31.83 50.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.655 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CE2' ' NH1' ' A' ' 11' ' ' ARG . 1.6 t80 -61.03 -33.86 73.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.672 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -67.23 -42.98 83.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.638 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -56.97 -41.78 78.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -43.52 91.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -54.09 -29.73 45.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.518 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.1 m -77.73 -28.98 50.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.436 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.443 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 3.6 mmt -82.22 -46.0 14.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.514 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 45' ' ' LEU . 94.7 mt -50.74 -34.24 26.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.645 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -107.12 -73.07 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.63 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.579 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 tttp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.894 0.378 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.3 m -113.12 -57.17 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.357 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -67.19 -4.31 10.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.143 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -91.8 -52.24 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.238 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.73 122.58 46.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.379 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.27 -49.85 57.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.771 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.4 ' HG2' ' NH1' ' A' ' 10' ' ' ARG . 14.7 mtp85 -47.69 -25.46 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -75.92 -39.23 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.543 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 16' ' ' THR . 1.6 tt0 -62.83 -55.96 21.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.532 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -49.07 -30.19 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.342 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.49 -35.61 24.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.537 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.1 m -83.78 -17.27 41.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.45 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 12' ' ' GLU . 22.3 m -79.73 -22.95 42.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.49 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -93.64 -21.99 19.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.49 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.82 -43.24 47.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.648 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.31 -34.59 68.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.665 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.434 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 13.6 t0 -58.11 -29.54 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.528 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -70.64 -55.34 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 t -82.17 -9.26 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.537 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.0 mtp180 49.79 43.19 24.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -138.54 107.77 6.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.535 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -43.92 -39.68 4.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.238 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -53.23 -29.39 32.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.148 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -72.02 -38.78 69.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.409 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -49.68 -60.02 3.27 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.565 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.73 -37.53 19.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.492 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.08 -25.49 63.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.399 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 t -84.35 -20.18 32.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.419 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.9 -5.2 59.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.371 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.568 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER -151.25 -148.3 0.26 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.686 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.568 ' O ' ' O ' ' A' ' 33' ' ' THR . 4.3 t 42.1 103.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.563 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -3.53 2.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.346 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 34' ' ' SER . 1.4 m -88.43 -60.16 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.466 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.7 m -65.99 -14.93 62.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.578 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -80.56 -42.27 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.705 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -84.64 -15.82 44.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.769 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -46.43 8.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.686 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.8 t -65.82 -26.5 67.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.542 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -67.74 -31.44 71.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.041 -179.675 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -79.98 -32.82 39.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.8 mtp -75.13 -8.52 56.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.742 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 42' ' ' GLN . 5.0 mt -81.53 -48.76 11.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.662 ' O ' ' ND1' ' A' ' 46' ' ' HIS . 23.3 p80 -163.03 74.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.525 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.532 ' C ' ' O ' ' A' ' 46' ' ' HIS . 4.0 mt-30 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.52 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 tttt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.874 0.368 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -91.92 -70.54 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.73 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -44.99 -16.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 5' ' ' CYS . 4.5 t70 -66.75 -35.38 79.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.477 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.512 ' C ' ' H ' ' A' ' 10' ' ' ARG . 26.0 m -125.94 105.19 8.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.366 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.2 -5.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.512 ' H ' ' C ' ' A' ' 8' ' ' SER . 3.0 mmt180 -94.01 -19.69 20.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.798 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.04 -24.26 16.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.771 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.496 ' O ' ' OG1' ' A' ' 16' ' ' THR . 3.0 tm-20 -71.31 -41.32 70.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.448 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mm -62.4 -28.41 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.752 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.74 -23.58 45.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.031 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.633 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 84.6 m -94.31 -17.28 22.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.711 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.496 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 1.2 m -77.92 -33.45 51.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.54 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -76.48 -27.27 56.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.474 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.4 m -67.08 -46.47 74.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.446 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.613 ' O ' ' N ' ' A' ' 23' ' ' ARG . 9.2 ptm180 -71.79 -40.85 68.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.464 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.501 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 70.7 m-20 -57.51 -23.67 51.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.439 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -57.8 4.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.221 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 22' ' ' VAL . 16.4 t -91.51 -2.29 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.237 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.613 ' N ' ' O ' ' A' ' 19' ' ' ARG . 41.0 mtm180 46.36 42.07 10.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.642 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.7 m -131.49 114.8 15.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.431 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.3 -41.29 12.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.485 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -55.68 -15.73 3.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.62 -10.75 26.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.604 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -79.46 -42.22 25.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.323 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -71.44 -27.24 63.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.194 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -62.66 -15.06 50.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.27 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.675 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 40.8 t -94.75 -38.76 10.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.871 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.6 m -78.04 -4.19 45.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.731 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -167.52 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 p -43.45 147.32 0.41 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -53.53 -17.75 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.092 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -72.35 -55.98 6.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.223 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 m -59.11 -25.31 63.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.19 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.675 ' CZ ' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -66.95 -61.08 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.271 179.696 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -19.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.408 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -78.44 -31.22 47.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.698 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.26 -26.97 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.934 0.397 . . . . 0.0 110.1 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -74.48 -47.01 35.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.9 m -68.33 -35.09 77.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.485 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.77 -29.14 63.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.607 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -53.34 -45.46 69.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.471 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -178.75 49.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.46 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.515 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.7 mttt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.893 0.377 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.442 ' C ' ' N ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -102.39 -48.91 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.374 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -51.98 -12.23 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.378 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.442 ' N ' ' C ' ' A' ' 5' ' ' CYS . 19.2 t0 -81.88 -29.46 32.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.1 t -135.45 104.21 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.143 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 tp -58.25 -41.38 84.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.778 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -57.26 -11.69 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.78 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -41.94 10.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.584 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' OG1' ' A' ' 16' ' ' THR . 0.6 OUTLIER -65.89 -23.22 66.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -69.48 -37.52 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.541 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.43 -21.26 49.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.7 m -85.74 -22.0 27.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.605 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 6.7 m -70.74 -33.99 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.019 0.438 . . . . 0.0 110.201 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 3.5 mptp? -77.61 -16.18 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.299 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.26 -38.25 19.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.671 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -74.61 -32.22 62.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.657 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 5.4 t0 -71.49 -22.66 61.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.685 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.476 ' NH1' ' SD ' ' A' ' 44' ' ' MET . 34.0 ttt180 -67.25 -48.74 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.486 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.504 HG21 ' CD2' ' A' ' 27' ' ' TYR . 5.8 t -98.28 -6.67 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.495 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mtm-85 47.13 50.64 13.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.638 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.61 ' C ' ' H ' ' A' ' 26' ' ' ASP . 1.7 m -137.06 121.02 17.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -57.15 2.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.614 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.61 ' H ' ' C ' ' A' ' 24' ' ' THR . 8.0 t0 -101.41 -29.51 11.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.735 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.504 ' CD2' HG21 ' A' ' 22' ' ' VAL . 1.5 m-85 -77.51 -13.38 59.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.648 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -75.3 -49.34 19.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.35 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -64.91 -27.29 68.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.239 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.9 -13.13 62.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.773 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.7 t -86.21 -44.71 11.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.991 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.28 -1.7 50.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.144 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.55 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -57.1 -165.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.834 0.35 . . . . 0.0 110.766 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.55 ' O ' ' O ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -47.12 -173.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 -179.7 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -75.37 -46.44 33.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -54.57 -60.88 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.599 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -28.08 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.619 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.27 -63.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.478 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 43' ' ' THR . 10.8 mttt -47.66 -40.16 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.342 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.22 -52.26 28.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.21 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -48.21 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.49 -21.92 64.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.634 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.582 ' O ' ' N ' ' A' ' 47' ' ' GLN . 87.8 m -71.64 -41.57 68.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.39 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.476 ' SD ' ' NH1' ' A' ' 21' ' ' ARG . 3.9 mtt -76.09 -8.89 58.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.605 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -89.95 -27.65 19.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.701 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -127.79 -24.54 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.984 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.582 ' N ' ' O ' ' A' ' 43' ' ' THR . 6.1 tt0 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.647 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 tptt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.82 0.343 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.624 ' O ' ' N ' ' A' ' 7' ' ' ASP . 12.1 m -99.39 -82.88 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.521 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 5' ' ' CYS . 1.0 OUTLIER -36.2 -24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.366 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.624 ' N ' ' O ' ' A' ' 5' ' ' CYS . 8.9 t0 -57.87 -54.62 44.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.609 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.46 ' C ' ' H ' ' A' ' 10' ' ' ARG . 75.7 m -99.14 103.53 15.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.06 -1.92 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.493 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.46 ' H ' ' C ' ' A' ' 8' ' ' SER . 10.3 mtt85 -95.23 -58.33 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.378 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -53.33 -38.71 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.23 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -54.4 -42.29 70.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.276 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.8 mt -64.1 -35.06 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.482 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.94 -14.39 61.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.212 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.4 m -103.82 -16.63 15.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.301 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.6 m -76.86 -28.24 55.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.609 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -92.47 -24.64 18.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.539 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.12 -39.26 55.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.487 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 4.1 ptm180 -68.28 -39.79 82.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.506 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.487 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -67.08 -17.6 64.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.332 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -69.8 -42.59 73.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.494 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.448 HG21 ' CG ' ' A' ' 27' ' ' TYR . 24.5 t -97.17 -14.51 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.596 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 64.13 27.91 14.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.501 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.565 HG22 ' H ' ' A' ' 26' ' ' ASP . 57.4 m -130.16 121.01 25.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.518 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.77 -28.65 50.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.756 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.565 ' H ' HG22 ' A' ' 24' ' ' THR . 1.8 t70 -69.22 -14.28 62.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.663 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.448 ' CG ' HG21 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -90.26 -7.08 54.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.572 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.403 ' HB2' ' HE ' ' A' ' 19' ' ' ARG . 50.9 t80 -82.31 -57.51 3.34 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.436 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.81 -32.35 19.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.667 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -62.74 -28.61 70.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.469 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.474 ' O ' ' CZ ' ' A' ' 38' ' ' PHE . 12.4 t -73.38 -39.8 64.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.18 -16.87 61.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.686 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.984 HG22 ' H ' ' A' ' 34' ' ' SER . 6.5 m -134.97 -145.23 0.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.62 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.984 ' H ' HG22 ' A' ' 33' ' ' THR . 19.2 t 37.49 88.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.474 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -49.11 -31.16 7.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.53 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -63.13 -62.46 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.673 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 m -53.4 -38.11 63.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.474 ' CZ ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -45.73 -47.46 15.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.736 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -66.31 -45.49 80.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.352 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -60.65 -31.3 70.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.656 0.265 . . . . 0.0 111.365 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.1 m -66.09 -39.91 90.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.921 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -76.66 -34.17 58.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.888 0.375 . . . . 0.0 110.541 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -63.9 -26.39 68.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.66 -31.29 15.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.626 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.22 -33.43 75.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.639 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -90.81 -66.61 0.91 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.545 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.48 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.43 ' C ' ' SG ' ' A' ' 32' ' ' CYS . 27.7 mttt . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.8 0.333 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.26 -49.15 2.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.458 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -89.45 -9.77 48.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.476 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.0 -21.4 19.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.642 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.75 114.62 14.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.611 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.55 -19.23 62.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.474 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -49.07 17.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.73 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -55.32 -28.01 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -68.91 -53.62 20.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.935 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.7 mt -49.61 -34.92 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.2 -50.38 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.0 m -59.67 -21.23 60.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.695 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.7 m -77.8 -33.36 52.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.55 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -70.97 -29.39 65.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.565 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.32 -58.6 4.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.701 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.621 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -60.95 -31.23 70.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.691 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 28.1 m-20 -57.45 -31.85 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.428 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 21' ' ' ARG . 17.6 ttm180 -69.72 -58.04 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.268 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.61 HG11 ' CE2' ' A' ' 27' ' ' TYR . 1.3 t -75.57 -19.37 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.089 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.621 ' N ' ' O ' ' A' ' 19' ' ' ARG . 3.1 mtt180 60.74 43.07 12.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.109 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.503 HG22 ' H ' ' A' ' 26' ' ' ASP . 6.6 m -132.44 136.24 46.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.786 0.327 . . . . 0.0 110.526 179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -66.0 -26.98 67.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.593 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.503 ' H ' HG22 ' A' ' 24' ' ' THR . 80.9 m-20 -70.74 -36.47 73.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.585 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.61 ' CE2' HG11 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -64.29 -21.45 66.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.491 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -72.19 -50.4 27.91 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.658 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.22 -13.09 24.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.56 ' O ' ' OG1' ' A' ' 33' ' ' THR . 4.8 tp10 -79.86 -27.29 40.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.588 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.7 -40.41 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.43 ' SG ' ' C ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -73.55 -0.51 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.958 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.56 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -64.4 -152.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.49 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.447 ' H ' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -66.1 -171.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.468 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -79.79 -38.87 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.562 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 p -47.94 -43.75 29.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.808 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.1 -33.12 33.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.716 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -61.28 -30.43 70.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.779 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -76.06 -41.27 51.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.726 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -60.08 -47.5 85.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.63 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.91 -46.21 10.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -71.33 -45.37 63.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.6 m -58.92 -25.51 63.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.351 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.29 -18.54 36.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.399 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 45' ' ' LEU . 11.9 mt -79.66 -21.58 44.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.555 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -103.08 -63.78 1.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.509 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 tttp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.829 0.347 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.6 m -85.03 -65.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.44 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.69 1.63 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.58 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -90.05 -16.64 29.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.528 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.03 106.46 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.573 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.47 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 3.9 mm? -66.33 -5.29 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.532 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -88.23 -55.36 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.868 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -68.24 -32.48 72.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.64 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -55.89 -29.58 60.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.5 mt -85.54 -46.02 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.833 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.8 -41.55 78.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.726 ' SG ' ' CZ ' ' A' ' 28' ' ' PHE . 6.2 t -62.6 -36.03 81.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.668 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.3 m -61.26 -43.22 99.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 110.057 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -58.85 -40.22 83.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.752 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.04 -46.06 86.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.251 -179.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' ARG . 2.2 tmt_? -80.71 -37.65 30.29 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.798 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.57 -18.37 65.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.287 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.2 ttt-85 -78.04 -35.41 49.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.163 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.827 HG21 ' CE2' ' A' ' 27' ' ' TYR . 4.5 t -103.6 -15.2 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.385 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' ARG . 56.8 mtm-85 58.99 46.4 13.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.7 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' TYR . 1.3 m -130.04 105.93 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.551 ' O ' ' OD1' ' A' ' 25' ' ' ASP . 65.7 t0 -46.95 -21.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.575 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -77.12 -28.67 54.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.641 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.827 ' CE2' HG21 ' A' ' 22' ' ' VAL . 1.5 m-85 -65.22 -52.78 52.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.173 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.726 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 14.0 t80 -43.52 -59.13 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.968 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -43.87 -31.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.994 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.59 -29.5 67.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.024 0.44 . . . . 0.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.758 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 12.7 p -71.69 -53.72 12.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.899 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.758 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -64.85 0.06 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 -179.503 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.823 HG22 ' H ' ' A' ' 34' ' ' SER . 2.0 m -67.94 -150.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.664 -0.414 . . . . 0.0 109.947 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.823 ' H ' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -62.07 171.5 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.272 179.649 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.63 -38.48 58.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -45.98 66.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.476 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.2 m -61.62 -36.28 80.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.399 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -53.68 -52.83 58.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.446 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -49.8 -39.27 37.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.772 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -58.64 6.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.631 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.73 -13.2 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -85.88 -38.51 17.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.327 . . . . 0.0 110.725 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.2 -29.71 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.159 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.75 ' N ' ' SD ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -69.8 -21.74 63.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.148 179.734 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 mt -82.31 -48.3 11.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.433 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -59.17 -56.07 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.475 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.604 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.428 ' HZ1' ' NH2' ' A' ' 11' ' ' ARG . 10.7 tttm . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.907 0.384 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -105.02 -67.61 0.9 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.392 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.12 -11.9 1.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.186 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -84.34 -49.5 8.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.41 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 10' ' ' ARG . 7.3 m -90.22 112.8 24.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.36 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.03 -2.9 0.47 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.434 ' H ' ' C ' ' A' ' 8' ' ' SER . 58.0 mtt85 -92.03 -53.62 4.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.655 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.428 ' NH2' ' HZ1' ' A' ' 4' ' ' LYS . 2.7 mtt-85 -69.32 -13.35 62.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.656 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' A' ' 16' ' ' THR . 47.6 tt0 -76.94 -50.78 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.422 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.71 -37.31 65.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.598 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.16 -24.83 60.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.526 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 11' ' ' ARG . 56.7 m -86.27 -21.72 27.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.285 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -78.3 -53.73 6.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.473 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -47.59 -24.64 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.21 -48.17 18.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.359 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.588 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -78.18 -46.61 20.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.141 179.765 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.427 ' N ' ' HD3' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -45.16 -28.48 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.201 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.9 ttt85 -74.37 -50.09 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.494 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.007 HG21 ' CE2' ' A' ' 27' ' ' TYR . 10.6 t -88.06 -5.1 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.736 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.8 OUTLIER 46.27 47.94 13.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.755 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 26' ' ' ASP . 8.1 m -123.71 104.94 9.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.616 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.23 -15.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.47 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 24' ' ' THR . 3.0 t70 -83.66 -47.74 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.406 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.007 ' CE2' HG21 ' A' ' 22' ' ' VAL . 2.5 m-85 -44.64 -44.11 8.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.36 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -53.83 -53.84 46.81 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -61.13 -20.29 62.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.753 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.88 -13.31 59.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.73 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 43.4 t -86.38 -36.72 19.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.221 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.499 ' O ' ' O ' ' A' ' 33' ' ' THR . 2.6 t -76.51 -14.25 60.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.712 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 1.062 HG22 ' H ' ' A' ' 34' ' ' SER . 5.7 m -52.42 -164.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 1.062 ' H ' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -50.11 -173.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.902 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.478 ' N ' ' OG ' ' A' ' 34' ' ' SER . 15.2 mt-10 -83.49 -29.48 27.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.667 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.6 m -57.97 -65.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.6 m -52.82 -35.6 57.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.455 ' CD2' ' O ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -53.69 -50.41 65.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.902 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -61.69 -30.02 70.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.294 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -71.73 -45.47 61.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.405 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.2 -44.67 16.3 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.369 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.44 ' N ' ' OE1' ' A' ' 42' ' ' GLN . 1.8 mp0 -71.03 -34.13 70.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.108 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 47' ' ' GLN . 92.9 m -64.96 -37.85 89.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.284 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' HIS . 2.0 mtt -68.39 -48.02 65.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.218 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' MET . 11.1 mt -36.3 -33.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.383 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.467 ' O ' ' O ' ' A' ' 47' ' ' GLN . 5.8 t60 -178.67 67.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.385 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' THR . 1.7 tt0 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.6 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.615 ' C ' ' H ' ' A' ' 6' ' ' GLU . 19.1 tttp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.875 0.369 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.438 ' SG ' ' C ' ' A' ' 4' ' ' LYS . 1.3 m 66.18 -30.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.403 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.615 ' H ' ' C ' ' A' ' 4' ' ' LYS . 18.8 mt-10 -58.92 -28.28 66.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.424 . . . . 0.0 110.086 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -34.95 77.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.237 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m -129.72 84.95 2.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.755 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tp -57.15 -15.02 4.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.157 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -72.09 -19.5 61.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.325 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.446 HH11 ' HG3' ' A' ' 11' ' ' ARG . 38.7 mtt85 -98.35 -17.27 18.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.349 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -78.84 -30.17 45.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.1 mt -72.86 -34.01 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.611 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.05 -48.11 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.159 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.712 ' SG ' ' CE2' ' A' ' 38' ' ' PHE . 57.8 m -61.66 -13.14 19.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.305 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.7 m -78.87 -33.1 46.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.721 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -73.26 -24.13 60.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.481 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -41.91 33.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.546 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 1.6 ptm180 -64.45 -41.2 96.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 0.0 110.339 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -58.31 -24.77 60.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.175 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.25 -31.3 64.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.371 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.703 HG21 ' CD2' ' A' ' 27' ' ' TYR . 14.2 t -106.97 -4.67 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.688 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER 45.19 35.09 1.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.689 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 26' ' ' ASP . 95.7 m -135.14 121.26 20.05 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.49 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -53.05 -36.04 60.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.668 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.448 ' H ' HG22 ' A' ' 24' ' ' THR . 5.3 t0 -62.01 -21.76 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.703 ' CD2' HG21 ' A' ' 22' ' ' VAL . 1.2 t80 -86.49 -12.95 47.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.529 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -79.7 -56.97 3.9 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.355 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -57.92 -26.35 62.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.013 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' O ' ' OG1' ' A' ' 33' ' ' THR . 2.4 mm-40 -62.45 -30.02 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.025 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.49 ' C ' ' H ' ' A' ' 33' ' ' THR . 51.6 t -70.31 -55.41 9.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.653 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 2.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.791 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.769 HG22 ' H ' ' A' ' 34' ' ' SER . 1.0 OUTLIER -76.96 -153.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.915 0.388 . . . . 0.0 111.055 -179.758 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.769 ' H ' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -33.15 128.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.3 -34.78 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.363 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.71 -32.61 74.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.44 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.0 m -74.05 -29.19 61.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.302 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.712 ' CE2' ' SG ' ' A' ' 15' ' ' CYS . 1.9 t80 -60.32 -41.49 93.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.283 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -79.25 -22.83 44.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.487 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -65.65 -38.0 88.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.364 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.678 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -66.24 -59.78 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.373 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -39.33 -38.47 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.444 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.1 m -72.05 -35.24 69.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.557 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.6 mtt -102.34 5.18 39.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.168 0.509 . . . . 0.0 109.872 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.678 ' N ' ' O ' ' A' ' 41' ' ' CYS . 5.1 tp -115.13 -47.07 2.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.296 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.557 ' O ' ' O ' ' A' ' 47' ' ' GLN . 9.2 t-80 -80.67 -48.1 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.706 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.557 ' O ' ' O ' ' A' ' 46' ' ' HIS . 18.9 mt-30 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.569 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.485 ' C ' ' OD1' ' A' ' 7' ' ' ASP . 3.8 tptm . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.678 0.275 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -109.22 -35.7 6.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -56.34 -27.24 55.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.375 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.485 ' OD1' ' C ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -59.36 -58.83 6.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.17 105.32 17.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.5 mt -45.37 -26.43 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.623 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.38 -45.53 79.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -60.5 -26.73 67.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.516 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -74.89 -37.81 62.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.66 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 mm -66.88 -39.69 84.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.029 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.39 -33.87 67.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.477 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.698 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 65.5 m -75.33 -26.65 58.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.374 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.9 m -71.89 -32.46 67.45 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -71.67 -17.94 62.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.052 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.0 t -79.88 -39.23 30.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.278 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.682 ' O ' ' N ' ' A' ' 23' ' ' ARG . 5.3 ptm180 -74.52 -40.84 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.362 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 25.1 t0 -60.37 -27.87 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.453 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -65.79 -50.6 64.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.314 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.45 HG11 ' CE2' ' A' ' 27' ' ' TYR . 1.8 t -98.13 -5.41 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.314 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.682 ' N ' ' O ' ' A' ' 19' ' ' ARG . 4.5 mtt180 49.97 35.26 9.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.504 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.46 115.12 19.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -48.59 -22.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -74.88 -26.04 59.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.634 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.45 ' CE2' HG11 ' A' ' 22' ' ' VAL . 1.4 m-85 -83.16 -0.83 51.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.674 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -87.59 -49.94 6.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.12 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.93 -21.19 66.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.03 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.82 -20.53 64.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.915 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.693 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 41.2 t -79.8 -59.49 2.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.781 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.582 ' O ' ' O ' ' A' ' 33' ' ' THR . 3.4 t -57.88 -13.79 5.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.829 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.582 ' O ' ' O ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -54.19 -144.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.613 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.17 162.46 28.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -54.87 -43.04 72.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.579 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -48.69 -47.34 40.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.96 -34.97 77.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.698 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -65.11 -45.48 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -65.04 -52.62 54.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.619 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -44.86 -53.54 7.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.509 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.5 t -55.49 -50.24 70.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.465 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -55.2 -24.38 26.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.416 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.83 -42.78 16.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.798 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.53 -10.22 59.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.773 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mt -75.62 -38.55 58.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.869 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.541 ' O ' ' C ' ' A' ' 47' ' ' GLN . 15.1 t-80 -134.1 17.41 3.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.707 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.541 ' C ' ' O ' ' A' ' 46' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.593 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.494 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 16.7 t70 51.05 19.5 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.672 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -92.86 -46.22 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.378 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -153.38 7.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.227 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.6 m -117.71 -62.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.401 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.494 ' HB2' ' H ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -69.95 -30.47 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.263 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -55.26 -45.66 76.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.386 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.33 114.92 29.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.406 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.11 -3.7 31.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.682 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.88 -33.97 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.393 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -74.92 -33.3 61.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.355 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 16' ' ' THR . 19.9 tt0 -60.56 -52.6 64.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.58 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 54.3 mt -51.0 -26.23 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.431 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.19 -51.13 6.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.485 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.5 m -72.33 -12.75 61.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 12' ' ' GLU . 2.9 m -78.1 -32.82 50.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.519 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -84.55 -23.47 29.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.6 m -69.07 -33.97 74.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.736 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.464 ' HG2' ' CE2' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -75.49 -28.82 59.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.548 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 17.9 m-20 -84.43 -17.07 40.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.44 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -52.09 27.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.444 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.597 HG21 ' CZ ' ' A' ' 27' ' ' TYR . 39.6 t -95.86 -1.33 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.493 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 51.64 36.01 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.524 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.704 HG22 ' H ' ' A' ' 26' ' ' ASP . 27.7 m -129.32 119.88 24.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.563 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.68 -16.07 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.734 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.704 ' H ' HG22 ' A' ' 24' ' ' THR . 0.5 OUTLIER -78.16 -21.6 49.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.584 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.597 ' CZ ' HG21 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -76.93 -28.7 55.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.384 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.464 ' CE2' ' HG2' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -62.54 -64.72 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.599 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.448 ' O ' ' OG1' ' A' ' 33' ' ' THR . 47.3 t80 -55.31 -31.82 61.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.751 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.91 -11.44 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.722 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.2 t -92.56 -30.31 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.797 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.55 3.68 39.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.863 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -129.01 176.59 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.797 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.459 ' O ' ' O ' ' A' ' 33' ' ' THR . 11.7 t 51.19 170.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.83 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -109.05 -40.17 5.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.562 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -53.28 57.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.9 m -57.05 -28.58 62.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.345 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.58 -43.58 66.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.606 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -30.34 54.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.674 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -72.28 -24.86 61.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -59.94 4.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.56 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -51.16 -54.48 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.682 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -53.77 -28.54 35.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -20.9 45.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.5 mt -84.19 -41.11 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.456 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.505 ' O ' ' O ' ' A' ' 47' ' ' GLN . 33.6 t-80 -91.14 -29.82 17.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.505 ' O ' ' O ' ' A' ' 46' ' ' HIS . 3.0 pt20 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.589 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.579 ' H ' ' HB3' ' A' ' 6' ' ' GLU . 0.2 OUTLIER 32.47 36.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.681 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 1' ' ' ALA . 26.3 t70 -76.81 -55.0 5.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.471 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.615 ' HZ2' ' NH2' ' A' ' 11' ' ' ARG . 24.2 tttp -156.75 8.63 0.2 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.263 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.8 -57.74 0.87 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.668 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.579 ' HB3' ' H ' ' A' ' 2' ' ' ASP . 4.2 tt0 -67.28 -0.77 3.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.907 0.384 . . . . 0.0 110.26 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.607 ' OD1' ' N ' ' A' ' 8' ' ' SER . 32.6 p-10 -89.52 -41.15 12.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.393 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.607 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 48.4 m -100.23 131.72 46.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.515 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.18 -0.25 51.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.603 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.409 ' HG2' ' NH1' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -100.9 -27.08 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.386 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.615 ' NH2' ' HZ2' ' A' ' 4' ' ' LYS . 9.0 mtm180 -96.92 -12.22 23.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.159 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' THR . 8.3 tt0 -82.64 -49.73 9.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.387 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mt -62.35 -23.39 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.132 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.98 -16.29 30.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.541 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.686 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 56.4 m -110.84 -9.85 14.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.487 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 12' ' ' GLU . 43.5 m -88.54 -29.57 19.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.418 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -82.18 -20.5 37.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.468 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.85 -48.19 66.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.699 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.662 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -75.95 -45.92 32.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.365 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 41.1 t0 -44.62 -32.24 1.4 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.329 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -77.25 -48.48 17.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.241 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.569 HG21 ' CD2' ' A' ' 27' ' ' TYR . 3.3 t -82.52 -5.81 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.3 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.662 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER 39.28 48.51 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.732 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.505 ' OG1' ' O ' ' A' ' 22' ' ' VAL . 1.4 m -140.55 112.11 7.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.619 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -46.16 -30.12 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.628 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -66.05 -25.2 66.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.993 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.569 ' CD2' HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -79.45 -44.19 21.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.65 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 16' ' ' THR . 0.6 OUTLIER -50.13 -51.66 41.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.76 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -67.27 -17.19 64.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.666 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -77.66 -12.4 59.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.687 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.52 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 43.2 t -88.89 -45.33 9.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.655 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.64 -0.63 21.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.963 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -69.97 -164.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.6 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -36.98 142.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.615 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -52.76 -45.19 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.437 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.8 p -46.49 -51.7 14.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.378 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.5 m -65.29 -31.43 72.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.293 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.686 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 2.0 t80 -62.91 -54.63 35.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.528 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -59.28 -17.17 26.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.744 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -81.74 -36.11 28.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.666 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -22.06 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.531 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -91.37 -26.01 19.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.48 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.4 m -76.05 -28.45 57.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.695 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.0 mtt -79.24 -46.96 16.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 45' ' ' LEU . 23.4 mt -51.67 -34.46 38.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.771 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -101.19 -63.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.711 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.553 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.578 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.1 OUTLIER 47.87 41.8 15.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.65 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.499 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -69.9 49.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.946 0.403 . . . . 0.0 110.155 179.751 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.457 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 23.9 tttt 71.38 -0.3 3.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.484 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -111.87 -62.25 1.59 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.651 179.69 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -64.33 -15.41 60.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.664 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -66.82 -28.41 68.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.627 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.4 p -150.48 115.45 5.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.733 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.48 -7.82 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -25.15 61.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.238 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 mtm-85 -98.42 -31.37 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.319 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.555 ' O ' ' OG1' ' A' ' 16' ' ' THR . 3.1 tp10 -65.51 -28.36 69.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.551 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.7 mt -86.61 -30.09 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.609 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.9 -21.43 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.982 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 67.1 m -88.48 -3.45 58.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.824 0.345 . . . . 0.0 110.645 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.555 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 2.8 m -87.86 -53.99 4.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.278 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.39 -35.04 37.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.183 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -55.95 17.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.748 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -69.03 -41.55 77.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -51.2 -26.36 6.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.26 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -59.22 2.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.296 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.562 HG21 ' CE2' ' A' ' 27' ' ' TYR . 3.1 t -78.0 -5.43 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.5 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.7 mtt-85 46.87 38.08 5.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.747 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -126.24 108.67 11.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.495 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 17.8 p30 -46.65 -23.69 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.562 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.662 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 27.1 t70 -67.86 -27.51 66.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.562 ' CE2' HG21 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -69.38 -52.98 21.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.562 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -42.68 -54.26 4.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.277 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -56.29 -30.51 62.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.959 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -69.87 -23.9 63.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.12 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.7 t -82.92 -45.4 14.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.518 ' O ' ' O ' ' A' ' 33' ' ' THR . 2.3 t -71.14 -8.98 57.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.721 HG22 ' H ' ' A' ' 34' ' ' SER . 1.7 m -56.64 -146.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.375 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.721 ' H ' HG22 ' A' ' 33' ' ' THR . 0.3 OUTLIER -73.26 170.16 15.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.685 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -63.63 -49.51 72.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.92 -40.84 6.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.85 -29.63 50.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.714 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -55.13 -42.58 73.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.58 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -71.85 -37.98 70.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.484 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -50.57 -51.43 48.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.333 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.28 -47.92 65.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.311 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -57.61 -35.9 71.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.217 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.7 m -59.65 -31.0 69.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.531 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.7 ttt -79.63 -30.22 41.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.728 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.1 mt -73.55 -23.02 59.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.507 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' A' ' 47' ' ' GLN . 61.3 t-80 -107.6 -43.98 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.445 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.558 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.9 OUTLIER 30.93 38.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.565 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 1' ' ' ALA . 1.6 t70 -71.65 -35.56 70.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.543 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.56 -39.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.576 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 30.8 m -97.54 -44.11 6.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.396 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.463 ' CB ' ' H ' ' A' ' 2' ' ' ASP . 13.7 mt-10 -59.59 -17.66 34.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.48 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -78.89 -33.16 45.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.629 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.77 110.33 11.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.485 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.61 -34.8 69.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.644 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -36.15 82.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.022 0.439 . . . . 0.0 110.083 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -68.95 -25.52 64.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.299 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' CYS . 3.4 tt0 -70.67 -60.73 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.3 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.8 mt -42.57 -26.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.268 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 12' ' ' GLU . . . -74.99 -40.72 60.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.174 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.507 ' N ' ' O ' ' A' ' 12' ' ' GLU . 98.3 m -73.9 -24.38 59.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.389 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.7 m -74.73 -24.93 58.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.353 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -83.87 -22.45 31.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.476 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 m -74.23 -47.61 34.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.288 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.622 ' O ' ' N ' ' A' ' 23' ' ' ARG . 1.8 ptm180 -54.35 -35.82 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.154 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.442 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 6.9 t70 -66.17 -33.06 74.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.481 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.678 ' NE ' ' SD ' ' A' ' 44' ' ' MET . 26.5 ttm105 -60.72 -28.15 68.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.594 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.548 HG11 ' CD2' ' A' ' 27' ' ' TYR . 1.5 t -118.72 -14.89 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.622 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.8 mtp180 57.45 46.11 18.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.817 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 m -146.19 121.97 10.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.766 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -51.15 -33.64 27.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.364 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.53 -15.88 59.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.51 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.548 ' CD2' HG11 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -100.6 4.3 43.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.809 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -93.54 -42.49 9.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 109.924 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -70.23 -22.56 62.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.918 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.06 -25.49 66.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.269 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.6 t -76.46 -46.29 27.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.385 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -3.5 3.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.456 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.488 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -145.87 -150.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.738 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 33' ' ' THR . 41.8 t 32.2 93.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.726 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 36' ' ' SER . 13.2 pt-20 -62.53 -34.55 77.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.195 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -55.89 -60.44 3.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.336 179.792 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.6 m -63.18 -35.66 81.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.406 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -55.11 -55.71 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.414 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -48.43 -47.3 38.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.62 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -60.51 -52.18 66.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.556 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -40.88 13.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.508 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -72.48 -51.33 20.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.366 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 47' ' ' GLN . 2.8 m -48.48 -34.9 11.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.393 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.678 ' SD ' ' NE ' ' A' ' 21' ' ' ARG . 7.7 ttm -76.97 -45.56 27.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.41 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 45' ' ' LEU . 15.2 mt -55.86 -12.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.544 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -121.6 -34.65 3.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.569 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.117 -0.945 . . . . 0.0 110.483 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.66 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.443 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 36.57 21.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.585 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.666 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 0.9 OUTLIER -72.83 66.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.586 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.575 ' C ' ' SG ' ' A' ' 32' ' ' CYS . 7.5 mmmt 55.93 2.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.494 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.574 ' O ' ' N ' ' A' ' 7' ' ' ASP . 13.2 m -111.34 -85.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 5' ' ' CYS . 1.5 tt0 -36.82 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.593 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.574 ' N ' ' O ' ' A' ' 5' ' ' CYS . 1.4 m-20 -58.59 -9.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.579 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.588 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.2 p -159.14 86.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.566 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.407 HD23 ' OE1' ' A' ' 12' ' ' GLU . 6.1 mt -42.54 -15.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.624 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 8' ' ' SER . 0.7 OUTLIER -78.11 -47.32 18.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.75 -179.734 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -66.93 -17.05 64.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.747 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.407 ' OE1' HD23 ' A' ' 9' ' ' LEU . 20.9 tt0 -72.75 -43.93 62.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.745 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.1 mt -54.79 -55.09 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.85 93.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.722 ' SG ' ' CE2' ' A' ' 28' ' ' PHE . 35.5 t -64.19 -46.49 83.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.698 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.9 m -57.71 -48.25 80.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.308 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -58.02 -23.41 54.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.487 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -77.04 -52.47 9.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.555 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.58 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -72.46 -45.75 58.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.625 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.419 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 3.0 t70 -54.24 -15.09 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.148 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -91.55 -29.0 17.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.124 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.78 HG21 ' CE2' ' A' ' 27' ' ' TYR . 2.3 t -105.4 -8.26 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.306 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.58 ' N ' ' O ' ' A' ' 19' ' ' ARG . 13.5 mtm180 48.64 39.7 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.711 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.571 ' C ' ' H ' ' A' ' 26' ' ' ASP . 0.5 OUTLIER -120.54 117.58 27.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.599 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.65 2.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.363 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.571 ' H ' ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -101.75 -39.81 7.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.818 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.78 ' CE2' HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -50.21 -52.97 31.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.568 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.722 ' CE2' ' SG ' ' A' ' 15' ' ' CYS . 16.2 t80 -51.37 -61.05 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.537 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.447 ' O ' ' OG1' ' A' ' 33' ' ' THR . 19.9 t80 -46.8 -35.75 6.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.902 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -70.61 -21.65 62.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.533 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.742 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 3.2 p -75.8 -49.81 17.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.79 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.742 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -72.15 -0.58 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.866 -179.514 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.657 HG22 ' H ' ' A' ' 34' ' ' SER . 1.6 m -75.48 -144.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.358 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.657 ' H ' HG22 ' A' ' 33' ' ' THR . 0.5 OUTLIER -50.49 162.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.554 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.89 -38.21 76.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.502 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -51.52 57.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.438 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.74 -49.14 66.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.271 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -56.67 16.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.502 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.07 -31.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.692 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -68.75 -49.3 59.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.519 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.9 t -39.18 -36.73 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.392 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.51 -43.3 60.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.47 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 40' ' ' LYS . 95.9 m -52.69 -38.72 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.2 ttt -71.25 -45.24 63.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.613 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mt -46.82 -52.29 14.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.555 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -179.1 65.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.566 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.429 ' OXT' ' CD ' ' A' ' 47' ' ' GLN . 6.0 tm0? . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.595 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 1' ' ' ALA . 7.6 p-10 33.85 35.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.634 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.611 ' C ' ' H ' ' A' ' 5' ' ' CYS . 15.7 p-10 -77.22 67.04 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.482 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.6 mttt 59.94 -7.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.725 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.611 ' H ' ' C ' ' A' ' 3' ' ' ASP . 83.2 m -107.55 -70.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.91 -10.27 27.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.355 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -67.66 -40.42 84.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.637 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 p -130.98 106.14 8.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.617 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 9' ' ' LEU . 14.7 tp -58.95 -15.27 12.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.385 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -83.08 -43.36 16.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.647 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -24.46 53.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.469 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 15' ' ' CYS . 32.0 tt0 -69.23 -58.61 3.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.614 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.9 mt -46.84 -31.92 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.488 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -33.97 67.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.324 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.522 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 56.5 m -75.92 -17.35 59.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.376 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.0 m -79.08 -47.96 15.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.43 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -54.9 -20.79 9.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.465 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 t -78.07 -53.39 7.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.037 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.628 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -66.56 -33.64 76.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.677 -179.682 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -68.63 -34.16 75.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.371 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -19.81 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.263 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.539 ' O ' ' C ' ' A' ' 23' ' ' ARG . 2.9 t -119.75 -5.24 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.52 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' A' ' 19' ' ' ARG . 43.2 mtp85 28.49 56.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.642 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.628 ' C ' ' H ' ' A' ' 26' ' ' ASP . 1.0 OUTLIER -110.18 -10.76 14.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.515 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.0 t0 68.21 -25.13 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.19 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.628 ' H ' ' C ' ' A' ' 24' ' ' THR . 2.7 m-20 -88.11 -34.26 17.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.296 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.418 ' O ' ' CB ' ' A' ' 30' ' ' GLU . 1.8 m-85 -53.91 -47.61 70.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.274 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -52.13 -62.97 1.3 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.341 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -50.95 -17.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.236 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 14.5 tt0 -75.99 -24.64 55.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.38 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -43.13 30.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.292 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.566 ' SG ' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -66.94 -3.41 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.472 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.751 HG22 ' H ' ' A' ' 34' ' ' SER . 1.1 m -73.88 -152.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.608 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.751 ' H ' HG22 ' A' ' 33' ' ' THR . 31.3 t -66.97 169.47 8.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.434 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -63.81 -37.69 88.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 p -50.01 -56.5 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -30.01 70.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.053 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.522 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -53.81 -40.23 66.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.05 -179.672 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.533 ' O ' ' OG1' ' A' ' 43' ' ' THR . 1.5 mtpm? -74.12 -41.6 61.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.312 . . . . 0.0 110.99 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -46.53 -43.38 16.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -55.45 14.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.858 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -23.25 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.665 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.533 ' OG1' ' O ' ' A' ' 39' ' ' LYS . 1.7 m -74.6 -43.05 57.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.477 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.546 ' O ' ' O ' ' A' ' 47' ' ' GLN . 1.1 mtp -67.84 -33.64 75.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.386 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.4 -57.37 11.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.493 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -64.74 -29.21 70.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.493 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.546 ' O ' ' O ' ' A' ' 44' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.518 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.557 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 36.36 56.67 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.706 179.731 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -90.38 -44.67 9.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.33 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.452 ' HD2' HH21 ' A' ' 11' ' ' ARG . 2.6 mmmp? -163.25 -25.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.759 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 90.9 m -113.38 -38.22 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.727 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.576 ' OE1' ' N ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -74.53 -14.25 60.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -65.49 -42.4 92.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.675 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -123.36 106.0 10.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.752 -179.835 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.9 mt -42.59 -20.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.572 ' C ' ' H ' ' A' ' 12' ' ' GLU . 16.5 ttm-85 -78.09 -52.78 8.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.494 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.452 HH21 ' HD2' ' A' ' 4' ' ' LYS . 14.5 mmm-85 -62.96 7.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.487 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.572 ' H ' ' C ' ' A' ' 10' ' ' ARG . 25.4 tt0 -100.56 -51.75 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.769 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -52.47 -42.12 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.36 -23.5 67.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.5 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.789 ' SG ' ' CE1' ' A' ' 28' ' ' PHE . 13.1 t -83.81 -28.01 28.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.548 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 m -72.13 -51.86 19.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.461 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -48.12 -23.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.713 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.4 -56.05 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.538 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.565 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.7 OUTLIER -73.42 -37.33 65.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.583 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -58.88 -20.27 49.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.751 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 ttt-85 -83.74 -50.26 8.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.374 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.661 HG21 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -86.57 -7.57 10.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.38 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' A' ' 19' ' ' ARG . 3.1 mtt-85 49.76 44.64 24.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.683 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 26' ' ' ASP . 0.6 OUTLIER -134.32 113.37 11.86 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.75 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -51.27 -12.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.375 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.452 ' N ' ' C ' ' A' ' 24' ' ' THR . 4.6 m-20 -80.09 -22.81 41.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.747 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.661 ' CE2' HG21 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -76.82 -49.36 15.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.553 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.789 ' CE1' ' SG ' ' A' ' 15' ' ' CYS . 6.6 t80 -44.73 -53.1 7.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.685 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -55.5 -34.81 64.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.031 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' O ' ' OG1' ' A' ' 33' ' ' THR . 0.1 OUTLIER -67.84 -9.61 45.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.599 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.771 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.8 p -85.91 -52.0 6.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.24 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.771 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -77.92 -3.73 43.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.884 -179.452 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -61.25 -169.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.198 179.63 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 p -46.14 166.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.348 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 38' ' ' PHE . 6.6 mp0 -61.02 -58.15 9.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.588 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -38.31 -41.1 0.59 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.598 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -37.02 71.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.712 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -54.92 -56.5 18.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.38 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -54.53 -30.27 53.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.289 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -61.22 -34.34 74.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.628 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -42.76 67.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.64 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.651 ' HA ' HD12 ' A' ' 45' ' ' LEU . 26.5 tt0 -58.14 -33.18 68.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.52 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -33.72 76.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.419 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 ttt -83.01 -12.17 57.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.393 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 42' ' ' GLN . 68.7 mt -79.93 -16.65 54.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.591 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -114.83 -62.57 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.51 179.902 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.629 ' C ' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 40.04 55.6 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.499 . . . . 0.0 110.429 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.618 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 7.4 m-20 -58.84 4.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.154 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.629 ' H ' ' C ' ' A' ' 2' ' ' ASP . 9.9 tttt 91.94 98.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.465 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.506 ' SG ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 55.24 0.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.394 -179.671 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.585 ' H ' ' C ' ' A' ' 4' ' ' LYS . 33.5 mt-10 -104.12 -24.3 13.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.361 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -137.99 25.56 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.487 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.9 p -119.19 126.41 51.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.646 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.55 ' C ' ' H ' ' A' ' 11' ' ' ARG . 5.2 mt -96.79 -61.84 1.35 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.591 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -52.84 -4.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.648 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.55 ' H ' ' C ' ' A' ' 9' ' ' LEU . 11.2 ttt85 -111.81 -28.79 7.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.747 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -76.97 -26.72 54.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.3 mt -78.24 -26.84 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.633 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.4 -25.78 19.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.821 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 90.3 m -86.6 -23.16 25.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.708 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.8 m -79.86 -23.32 42.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.59 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -81.93 -16.04 51.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.2 -40.66 12.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' ARG . 26.7 ptt180 -70.13 -35.48 74.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.708 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 36.7 t70 -64.36 -26.08 68.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.392 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -65.43 -50.44 65.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.368 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.811 HG21 ' CD2' ' A' ' 27' ' ' TYR . 1.9 t -97.52 -4.28 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.431 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' ARG . 76.8 mtm-85 50.31 29.27 3.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.573 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 26' ' ' ASP . 7.2 m -119.36 122.85 42.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.28 -31.28 61.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.431 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.415 ' H ' HG22 ' A' ' 24' ' ' THR . 0.4 OUTLIER -65.49 -20.61 66.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.426 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.811 ' CD2' HG21 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -89.4 -4.41 58.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.356 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -87.75 -57.2 3.03 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.29 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -51.23 -35.92 39.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.427 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.541 ' O ' ' OG1' ' A' ' 33' ' ' THR . 4.2 mm-40 -52.79 -36.77 58.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.484 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.477 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 40.8 t -70.12 -46.44 64.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.784 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.466 ' HA ' ' HE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -70.97 7.3 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.797 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.541 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -82.99 -159.53 0.34 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.588 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.534 ' O ' ' O ' ' A' ' 33' ' ' THR . 0.3 OUTLIER -46.17 -178.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.56 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -87.47 -11.97 47.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.449 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -77.07 -63.02 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.396 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.97 -16.95 2.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.265 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.477 ' CD2' ' O ' ' A' ' 31' ' ' CYS . 1.2 t80 -63.61 -47.48 81.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.251 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.601 ' O ' ' N ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -63.66 -57.45 10.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.186 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' LYS . 8.0 tttp -39.73 -21.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.955 0.407 . . . . 0.0 110.063 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.601 ' N ' ' O ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -94.47 -51.0 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.27 179.83 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -63.6 -32.68 74.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.388 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.4 m -65.31 -24.2 67.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.513 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.8 mtp -88.17 -14.46 38.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.608 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 45' ' ' LEU . 6.3 mt -76.48 -36.58 57.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.571 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.414 ' O ' ' CG ' ' A' ' 46' ' ' HIS . 0.6 OUTLIER -167.59 55.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.612 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.54 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.587 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' A' ' 3' ' ' ASP . 1.9 m-20 31.3 33.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.566 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' A' ' 1' ' ' ALA . 0.6 OUTLIER -28.88 -69.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.491 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.601 ' C ' ' H ' ' A' ' 6' ' ' GLU . 1.7 tppp? -177.72 97.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.5 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.465 ' SG ' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 49.94 4.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.56 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.601 ' H ' ' C ' ' A' ' 4' ' ' LYS . 3.0 tt0 -111.55 -23.14 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.314 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -122.98 -25.47 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.718 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.547 ' C ' ' H ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -67.32 83.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.986 0.422 . . . . 0.0 110.357 179.781 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 mp -59.72 4.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.031 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.547 ' H ' ' C ' ' A' ' 8' ' ' SER . 28.6 mtp85 -108.0 -22.99 12.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.773 0.321 . . . . 0.0 110.831 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 mtm-85 -110.41 -7.42 14.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.034 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.439 ' O ' ' OG1' ' A' ' 16' ' ' THR . 8.3 tm-20 -89.01 -26.08 21.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.311 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.2 mt -80.09 -30.94 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.32 -51.43 6.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.0 m -59.8 -15.01 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 16.9 m -77.71 -33.89 52.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.264 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -79.2 -23.62 43.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.646 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.531 ' SG ' HD11 ' A' ' 45' ' ' LEU . 2.1 m -74.87 -55.56 5.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 3.8 ptt-85 -56.23 -39.49 72.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.664 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.48 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -60.48 -31.48 70.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -69.42 -47.12 65.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.56 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.603 HG21 ' CD1' ' A' ' 27' ' ' TYR . 16.6 t -81.66 -26.47 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.525 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' ARG . 30.6 mtp180 64.06 40.6 6.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.619 HG22 ' H ' ' A' ' 26' ' ' ASP . 18.1 m -141.9 117.73 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.557 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -23.56 19.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.619 ' H ' HG22 ' A' ' 24' ' ' THR . 1.1 t70 -79.41 -10.39 59.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.516 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.603 ' CD1' HG21 ' A' ' 22' ' ' VAL . 21.8 t80 -95.11 -18.24 21.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.59 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.11 -48.97 61.14 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.389 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -58.23 -32.12 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.41 . . . . 0.0 109.933 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.521 ' O ' ' OG1' ' A' ' 33' ' ' THR . 1.3 tt0 -61.84 -24.65 67.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.332 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.502 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 39.3 t -75.51 -36.85 60.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.429 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.39 2.42 28.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.029 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.521 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -69.42 -153.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 0.0 110.848 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 t -51.96 166.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -73.45 -37.31 65.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.577 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.53 -34.93 62.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.428 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -25.24 27.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.367 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 31' ' ' CYS . 2.4 t80 -68.46 -48.88 63.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.575 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -57.83 -45.12 86.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.77 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -54.27 -43.47 71.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.657 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -58.84 -27.51 65.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.572 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -82.1 -25.59 34.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -71.3 -32.66 68.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.339 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 24.3 mtp -82.67 -20.5 36.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.314 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.531 HD11 ' SG ' ' A' ' 18' ' ' CYS . 80.7 mt -85.65 -17.66 35.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.483 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -99.45 -40.34 7.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.557 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.6 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 4' ' ' LYS . 9.2 m-20 42.16 30.38 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.67 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.581 ' C ' ' H ' ' A' ' 5' ' ' CYS . 0.3 OUTLIER -68.87 56.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER 68.16 -20.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.434 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.581 ' H ' ' C ' ' A' ' 3' ' ' ASP . 23.2 m -94.71 -79.22 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.339 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -44.13 -27.76 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.367 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -62.12 -62.3 1.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.637 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -92.38 106.91 18.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.691 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.99 0.88 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.241 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.499 ' H ' ' C ' ' A' ' 8' ' ' SER . 8.7 ttm105 -99.03 -32.53 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.627 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.31 -8.95 58.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -84.63 -38.33 19.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.765 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.453 ' N ' HD13 ' A' ' 13' ' ' ILE . 5.0 mm -65.08 -33.46 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.649 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.61 -45.07 39.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.306 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.4 m -66.51 -21.54 66.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.44 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.8 m -80.27 -49.32 11.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.931 0.396 . . . . 0.0 110.223 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -56.47 -20.41 19.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.292 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.29 -58.91 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.624 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.669 ' O ' ' N ' ' A' ' 23' ' ' ARG . 22.0 ptt180 -56.18 -36.95 68.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 13.8 t70 -56.1 -36.3 68.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.545 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -60.86 -47.73 85.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.489 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.497 HG21 ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -95.59 -8.38 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.425 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.669 ' N ' ' O ' ' A' ' 19' ' ' ARG . 52.7 mtt85 48.75 34.6 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.785 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.605 ' C ' ' H ' ' A' ' 26' ' ' ASP . 1.3 m -117.83 121.67 41.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.512 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.09 0.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.51 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.605 ' H ' ' C ' ' A' ' 24' ' ' THR . 15.3 t0 -96.94 -45.36 6.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.573 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.497 ' CD2' HG21 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -61.06 -13.31 16.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.497 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -74.43 -63.68 1.19 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.849 0.356 . . . . 0.0 110.145 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -44.89 48.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.119 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.556 ' HB3' HG21 ' A' ' 37' ' ' THR . 3.2 tt0 -43.48 -27.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.346 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.5 t -81.06 -50.44 9.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.506 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 3' ' ' ASP . 0.5 OUTLIER -58.33 -6.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.58 -173.09 4.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.949 0.404 . . . . 0.0 110.915 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t 50.49 96.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.618 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 36' ' ' SER . 21.1 pt-20 -53.51 -39.12 64.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.525 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.435 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 34.1 t -54.78 -39.43 68.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.491 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.556 HG21 ' HB3' ' A' ' 30' ' ' GLU . 63.6 m -74.86 -41.43 59.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.403 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.97 -30.27 24.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.376 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.71 -37.07 12.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.394 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.41 -23.51 67.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.4 t -68.37 -62.37 1.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.729 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.517 ' OE1' ' O ' ' A' ' 42' ' ' GLN . 1.6 tm0? -49.94 -28.02 6.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.74 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.2 m -82.83 -35.64 26.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.719 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -72.18 -7.61 50.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.558 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 45' ' ' LEU . 27.1 mt -90.73 -45.15 9.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.476 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -73.42 -26.9 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.532 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.53 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 54.89 41.06 32.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.749 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.51 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 23.5 t0 -72.98 56.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.138 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.79 0.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.212 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 3' ' ' ASP . 4.3 m -103.47 -80.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.662 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -47.37 -21.84 0.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.434 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -64.91 -36.7 85.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.425 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 p -123.15 119.06 29.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.452 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.4 mm? -65.19 -57.32 8.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.732 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -38.51 -46.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.628 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.639 ' NH1' ' CE2' ' A' ' 38' ' ' PHE . 8.4 ttm-85 -59.48 -43.32 93.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -61.64 -34.95 76.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.478 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -69.21 -27.83 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.74 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.93 -41.01 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.621 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.5 m -73.12 -15.32 61.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.5 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -74.32 -30.93 62.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.22 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -80.29 -23.39 40.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.458 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.93 -32.3 67.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.759 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.506 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 0.4 OUTLIER -84.4 -42.75 15.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.582 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 5.7 m-20 -65.96 -16.33 63.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.33 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.443 ' NH2' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -74.14 -44.88 52.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.425 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.17 -11.65 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.665 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 19' ' ' ARG . 7.2 mtp-105 58.99 47.25 12.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.637 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.768 HG22 ' H ' ' A' ' 26' ' ' ASP . 2.6 m -137.18 117.21 13.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.5 -13.77 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.7 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.768 ' H ' HG22 ' A' ' 24' ' ' THR . 1.1 t0 -85.47 -26.77 26.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.684 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -78.91 -7.51 58.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.779 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -80.78 -62.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.273 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -54.15 -28.38 39.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 0.0 110.026 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.48 -30.69 68.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.393 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.426 ' SG ' ' CE2' ' A' ' 38' ' ' PHE . 51.5 t -74.59 -39.32 62.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.638 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 33' ' ' THR . 1.3 m -71.65 -11.25 60.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.791 HG22 ' H ' ' A' ' 34' ' ' SER . 1.6 m -59.27 -151.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.63 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.791 ' H ' HG22 ' A' ' 33' ' ' THR . 0.8 OUTLIER -76.47 -173.46 2.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.808 -179.812 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.657 ' N ' ' OG ' ' A' ' 34' ' ' SER . 24.9 mt-10 -75.13 -34.98 61.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.715 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.3 m -50.45 -44.7 55.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.74 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.09 -31.83 50.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.655 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CE2' ' NH1' ' A' ' 11' ' ' ARG . 1.6 t80 -61.03 -33.86 73.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.672 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -67.23 -42.98 83.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.638 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -56.97 -41.78 78.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -43.52 91.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -54.09 -29.73 45.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.518 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.1 m -77.73 -28.98 50.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.436 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.443 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 3.6 mmt -82.22 -46.0 14.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.514 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 45' ' ' LEU . 94.7 mt -50.74 -34.24 26.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.645 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -107.12 -73.07 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.63 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.579 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.654 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.553 ' C ' ' O ' ' A' ' 1' ' ' ALA . 4.2 m-20 25.4 38.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.824 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.654 ' N ' ' O ' ' A' ' 1' ' ' ALA . 6.7 m-20 -78.38 -50.06 12.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.575 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -157.36 -12.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.411 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.3 m -113.12 -57.17 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.357 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.539 ' HB2' ' H ' ' A' ' 2' ' ' ASP . 84.6 mt-10 -67.19 -4.31 10.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.143 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -91.8 -52.24 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.238 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.73 122.58 46.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.379 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.27 -49.85 57.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.771 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' HG2' ' NH1' ' A' ' 10' ' ' ARG . 14.7 mtp85 -47.69 -25.46 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -75.92 -39.23 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.543 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 16' ' ' THR . 1.6 tt0 -62.83 -55.96 21.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.532 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -49.07 -30.19 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.342 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.49 -35.61 24.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.537 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.1 m -83.78 -17.27 41.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.45 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 12' ' ' GLU . 22.3 m -79.73 -22.95 42.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.49 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -93.64 -21.99 19.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.49 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.82 -43.24 47.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.648 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.31 -34.59 68.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.665 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.434 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 13.6 t0 -58.11 -29.54 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.528 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -70.64 -55.34 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 t -82.17 -9.26 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.537 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.0 mtp180 49.79 43.19 24.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -138.54 107.77 6.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.535 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -43.92 -39.68 4.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.238 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -53.23 -29.39 32.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.148 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -72.02 -38.78 69.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.409 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -49.68 -60.02 3.27 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.565 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.73 -37.53 19.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.492 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.08 -25.49 63.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.399 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 t -84.35 -20.18 32.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.419 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.9 -5.2 59.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.371 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.568 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER -151.25 -148.3 0.26 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.686 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.568 ' O ' ' O ' ' A' ' 33' ' ' THR . 4.3 t 42.1 103.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.563 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -3.53 2.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.346 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 34' ' ' SER . 1.4 m -88.43 -60.16 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.466 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.7 m -65.99 -14.93 62.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.578 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -80.56 -42.27 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.705 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -84.64 -15.82 44.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.769 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -46.43 8.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.686 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.8 t -65.82 -26.5 67.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.542 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -67.74 -31.44 71.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.041 -179.675 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -79.98 -32.82 39.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.8 mtp -75.13 -8.52 56.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.742 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 42' ' ' GLN . 5.0 mt -81.53 -48.76 11.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.662 ' O ' ' ND1' ' A' ' 46' ' ' HIS . 23.3 p80 -163.03 74.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.525 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.532 ' C ' ' O ' ' A' ' 46' ' ' HIS . 4.0 mt-30 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.52 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 20.2 p-10 -168.31 -55.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.772 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.545 ' C ' ' H ' ' A' ' 5' ' ' CYS . 0.3 OUTLIER 37.09 31.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.998 0.427 . . . . 0.0 110.139 -179.786 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 2' ' ' ASP . 8.6 tttt 72.17 -30.66 0.21 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.413 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.545 ' H ' ' C ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -91.92 -70.54 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.73 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -44.99 -16.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 5' ' ' CYS . 4.5 t70 -66.75 -35.38 79.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.477 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.512 ' C ' ' H ' ' A' ' 10' ' ' ARG . 26.0 m -125.94 105.19 8.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.366 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.2 -5.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.512 ' H ' ' C ' ' A' ' 8' ' ' SER . 3.0 mmt180 -94.01 -19.69 20.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.798 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.04 -24.26 16.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.771 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.496 ' O ' ' OG1' ' A' ' 16' ' ' THR . 3.0 tm-20 -71.31 -41.32 70.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.448 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mm -62.4 -28.41 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.752 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.74 -23.58 45.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.031 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.633 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 84.6 m -94.31 -17.28 22.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.711 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.496 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 1.2 m -77.92 -33.45 51.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.54 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -76.48 -27.27 56.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.474 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.4 m -67.08 -46.47 74.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.446 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.613 ' O ' ' N ' ' A' ' 23' ' ' ARG . 9.2 ptm180 -71.79 -40.85 68.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.464 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.501 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 70.7 m-20 -57.51 -23.67 51.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.439 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -57.8 4.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.221 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 22' ' ' VAL . 16.4 t -91.51 -2.29 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.237 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.613 ' N ' ' O ' ' A' ' 19' ' ' ARG . 41.0 mtm180 46.36 42.07 10.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.642 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.7 m -131.49 114.8 15.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.431 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.3 -41.29 12.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.485 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -55.68 -15.73 3.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.62 -10.75 26.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.604 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -79.46 -42.22 25.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.323 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -71.44 -27.24 63.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.194 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -62.66 -15.06 50.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.27 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.675 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 40.8 t -94.75 -38.76 10.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.871 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.6 m -78.04 -4.19 45.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.731 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -167.52 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 p -43.45 147.32 0.41 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -53.53 -17.75 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.092 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -72.35 -55.98 6.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.223 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 m -59.11 -25.31 63.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.19 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.675 ' CZ ' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -66.95 -61.08 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.271 179.696 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -19.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.408 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -78.44 -31.22 47.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.698 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.26 -26.97 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.934 0.397 . . . . 0.0 110.1 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -74.48 -47.01 35.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.9 m -68.33 -35.09 77.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.485 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.77 -29.14 63.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.607 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -53.34 -45.46 69.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.471 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -178.75 49.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.46 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.515 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.506 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 0.6 OUTLIER 49.62 31.68 4.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.645 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.545 ' CG ' ' N ' ' A' ' 4' ' ' LYS . 14.1 p-10 -61.18 -58.47 8.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.571 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.545 ' N ' ' CG ' ' A' ' 3' ' ' ASP . 29.7 mttt -147.78 -37.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.365 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.442 ' C ' ' N ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -102.39 -48.91 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.374 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.506 ' HB2' ' H ' ' A' ' 2' ' ' ASP . 1.8 mp0 -51.98 -12.23 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.378 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.442 ' N ' ' C ' ' A' ' 5' ' ' CYS . 19.2 t0 -81.88 -29.46 32.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.1 t -135.45 104.21 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.143 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 tp -58.25 -41.38 84.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.778 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -57.26 -11.69 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.78 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -41.94 10.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.584 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' OG1' ' A' ' 16' ' ' THR . 0.6 OUTLIER -65.89 -23.22 66.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -69.48 -37.52 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.541 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.43 -21.26 49.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.7 m -85.74 -22.0 27.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.605 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 6.7 m -70.74 -33.99 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.019 0.438 . . . . 0.0 110.201 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 3.5 mptp? -77.61 -16.18 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.299 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.26 -38.25 19.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.671 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -74.61 -32.22 62.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.657 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 5.4 t0 -71.49 -22.66 61.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.685 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.476 ' NH1' ' SD ' ' A' ' 44' ' ' MET . 34.0 ttt180 -67.25 -48.74 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.486 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.504 HG21 ' CD2' ' A' ' 27' ' ' TYR . 5.8 t -98.28 -6.67 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.495 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mtm-85 47.13 50.64 13.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.638 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.61 ' C ' ' H ' ' A' ' 26' ' ' ASP . 1.7 m -137.06 121.02 17.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -57.15 2.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.614 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.61 ' H ' ' C ' ' A' ' 24' ' ' THR . 8.0 t0 -101.41 -29.51 11.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.735 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.504 ' CD2' HG21 ' A' ' 22' ' ' VAL . 1.5 m-85 -77.51 -13.38 59.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.648 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -75.3 -49.34 19.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.35 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -64.91 -27.29 68.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.239 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.9 -13.13 62.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.773 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.7 t -86.21 -44.71 11.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.991 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.28 -1.7 50.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.144 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.55 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -57.1 -165.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.834 0.35 . . . . 0.0 110.766 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.55 ' O ' ' O ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -47.12 -173.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 -179.7 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -75.37 -46.44 33.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -54.57 -60.88 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.599 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -28.08 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.619 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.27 -63.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.478 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 43' ' ' THR . 10.8 mttt -47.66 -40.16 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.342 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.22 -52.26 28.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.21 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -48.21 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.49 -21.92 64.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.634 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.582 ' O ' ' N ' ' A' ' 47' ' ' GLN . 87.8 m -71.64 -41.57 68.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.39 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.476 ' SD ' ' NH1' ' A' ' 21' ' ' ARG . 3.9 mtt -76.09 -8.89 58.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.605 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -89.95 -27.65 19.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.701 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -127.79 -24.54 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.984 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.582 ' N ' ' O ' ' A' ' 43' ' ' THR . 6.1 tt0 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.647 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 48.73 34.04 4.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.592 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.59 ' C ' ' H ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -78.65 62.04 3.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.477 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 tptt 68.34 -21.4 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.48 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.624 ' O ' ' N ' ' A' ' 7' ' ' ASP . 12.1 m -99.39 -82.88 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.521 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 5' ' ' CYS . 1.0 OUTLIER -36.2 -24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.366 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.624 ' N ' ' O ' ' A' ' 5' ' ' CYS . 8.9 t0 -57.87 -54.62 44.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.609 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.46 ' C ' ' H ' ' A' ' 10' ' ' ARG . 75.7 m -99.14 103.53 15.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.06 -1.92 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.493 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.46 ' H ' ' C ' ' A' ' 8' ' ' SER . 10.3 mtt85 -95.23 -58.33 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.378 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -53.33 -38.71 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.23 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -54.4 -42.29 70.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.276 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.8 mt -64.1 -35.06 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.482 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.94 -14.39 61.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.212 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.4 m -103.82 -16.63 15.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.301 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.6 m -76.86 -28.24 55.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.609 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -92.47 -24.64 18.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.539 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.12 -39.26 55.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.487 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 4.1 ptm180 -68.28 -39.79 82.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.506 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.487 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -67.08 -17.6 64.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.332 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -69.8 -42.59 73.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.494 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.448 HG21 ' CG ' ' A' ' 27' ' ' TYR . 24.5 t -97.17 -14.51 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.596 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 64.13 27.91 14.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.501 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.565 HG22 ' H ' ' A' ' 26' ' ' ASP . 57.4 m -130.16 121.01 25.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.518 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.77 -28.65 50.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.756 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.565 ' H ' HG22 ' A' ' 24' ' ' THR . 1.8 t70 -69.22 -14.28 62.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.663 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.448 ' CG ' HG21 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -90.26 -7.08 54.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.572 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.403 ' HB2' ' HE ' ' A' ' 19' ' ' ARG . 50.9 t80 -82.31 -57.51 3.34 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.436 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.81 -32.35 19.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.667 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -62.74 -28.61 70.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.469 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.474 ' O ' ' CZ ' ' A' ' 38' ' ' PHE . 12.4 t -73.38 -39.8 64.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.18 -16.87 61.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.686 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.984 HG22 ' H ' ' A' ' 34' ' ' SER . 6.5 m -134.97 -145.23 0.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.62 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.984 ' H ' HG22 ' A' ' 33' ' ' THR . 19.2 t 37.49 88.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.474 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -49.11 -31.16 7.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.53 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -63.13 -62.46 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.673 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 m -53.4 -38.11 63.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.474 ' CZ ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -45.73 -47.46 15.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.736 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -66.31 -45.49 80.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.352 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -60.65 -31.3 70.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.656 0.265 . . . . 0.0 111.365 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.1 m -66.09 -39.91 90.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.921 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -76.66 -34.17 58.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.888 0.375 . . . . 0.0 110.541 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -63.9 -26.39 68.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.66 -31.29 15.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.626 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.22 -33.43 75.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.639 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -90.81 -66.61 0.91 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.545 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.48 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.622 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.5 OUTLIER 46.62 8.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.704 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.667 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 2.5 m-20 -69.23 60.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.528 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.43 ' C ' ' SG ' ' A' ' 32' ' ' CYS . 27.7 mttt 65.9 8.45 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.704 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.667 ' SG ' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -117.26 -49.15 2.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.458 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -89.45 -9.77 48.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.476 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.0 -21.4 19.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.642 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.75 114.62 14.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.611 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.55 -19.23 62.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.474 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -49.07 17.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.73 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -55.32 -28.01 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -68.91 -53.62 20.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.935 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.7 mt -49.61 -34.92 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.2 -50.38 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.0 m -59.67 -21.23 60.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.695 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.7 m -77.8 -33.36 52.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.55 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -70.97 -29.39 65.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.565 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.32 -58.6 4.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.701 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.621 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -60.95 -31.23 70.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.691 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 28.1 m-20 -57.45 -31.85 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.428 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 21' ' ' ARG . 17.6 ttm180 -69.72 -58.04 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.268 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.61 HG11 ' CE2' ' A' ' 27' ' ' TYR . 1.3 t -75.57 -19.37 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.089 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.621 ' N ' ' O ' ' A' ' 19' ' ' ARG . 3.1 mtt180 60.74 43.07 12.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.109 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.503 HG22 ' H ' ' A' ' 26' ' ' ASP . 6.6 m -132.44 136.24 46.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.786 0.327 . . . . 0.0 110.526 179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -66.0 -26.98 67.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.593 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.503 ' H ' HG22 ' A' ' 24' ' ' THR . 80.9 m-20 -70.74 -36.47 73.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.585 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.61 ' CE2' HG11 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -64.29 -21.45 66.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.491 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -72.19 -50.4 27.91 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.658 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.22 -13.09 24.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.56 ' O ' ' OG1' ' A' ' 33' ' ' THR . 4.8 tp10 -79.86 -27.29 40.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.588 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.7 -40.41 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.638 ' SG ' ' O ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER -73.55 -0.51 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.958 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.56 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -64.4 -152.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.49 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.447 ' H ' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -66.1 -171.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.468 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -79.79 -38.87 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.562 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 p -47.94 -43.75 29.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.808 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.1 -33.12 33.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.716 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -61.28 -30.43 70.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.779 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -76.06 -41.27 51.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.726 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -60.08 -47.5 85.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.63 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.91 -46.21 10.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -71.33 -45.37 63.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.6 m -58.92 -25.51 63.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.351 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.29 -18.54 36.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.399 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 45' ' ' LEU . 11.9 mt -79.66 -21.58 44.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.555 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -103.08 -63.78 1.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.509 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 47.98 23.34 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.449 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.554 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 20.8 t70 -83.53 58.05 4.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.72 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.554 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 1.7 tttp 84.33 -25.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.52 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.6 m -85.03 -65.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.44 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.69 1.63 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.58 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -90.05 -16.64 29.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.528 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.03 106.46 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.573 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.47 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 3.9 mm? -66.33 -5.29 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.532 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -88.23 -55.36 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.868 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -68.24 -32.48 72.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.64 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -55.89 -29.58 60.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.5 mt -85.54 -46.02 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.833 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.8 -41.55 78.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.726 ' SG ' ' CZ ' ' A' ' 28' ' ' PHE . 6.2 t -62.6 -36.03 81.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.668 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.3 m -61.26 -43.22 99.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 110.057 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -58.85 -40.22 83.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.752 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.04 -46.06 86.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.251 -179.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' ARG . 2.2 tmt_? -80.71 -37.65 30.29 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.798 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.57 -18.37 65.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.287 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.2 ttt-85 -78.04 -35.41 49.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.163 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.827 HG21 ' CE2' ' A' ' 27' ' ' TYR . 4.5 t -103.6 -15.2 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.385 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' ARG . 56.8 mtm-85 58.99 46.4 13.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.7 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' TYR . 1.3 m -130.04 105.93 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.551 ' O ' ' OD1' ' A' ' 25' ' ' ASP . 65.7 t0 -46.95 -21.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.575 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -77.12 -28.67 54.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.641 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.827 ' CE2' HG21 ' A' ' 22' ' ' VAL . 1.5 m-85 -65.22 -52.78 52.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.173 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.726 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 14.0 t80 -43.52 -59.13 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.968 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -43.87 -31.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.994 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.59 -29.5 67.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.024 0.44 . . . . 0.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.758 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 12.7 p -71.69 -53.72 12.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.899 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.758 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -64.85 0.06 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 -179.503 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.823 HG22 ' H ' ' A' ' 34' ' ' SER . 2.0 m -67.94 -150.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.664 -0.414 . . . . 0.0 109.947 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.823 ' H ' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -62.07 171.5 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.272 179.649 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.63 -38.48 58.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -45.98 66.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.476 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.2 m -61.62 -36.28 80.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.399 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -53.68 -52.83 58.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.446 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -49.8 -39.27 37.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.772 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -58.64 6.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.631 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.73 -13.2 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -85.88 -38.51 17.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.327 . . . . 0.0 110.725 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.2 -29.71 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.159 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.75 ' N ' ' SD ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -69.8 -21.74 63.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.148 179.734 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 mt -82.31 -48.3 11.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.433 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -59.17 -56.07 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.475 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.604 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.654 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 31.78 66.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.637 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.529 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 63.2 m-20 -97.48 52.61 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.484 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 10.7 tttm 80.45 -14.07 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.354 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -105.02 -67.61 0.9 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.392 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.12 -11.9 1.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.186 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -84.34 -49.5 8.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.41 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 10' ' ' ARG . 7.3 m -90.22 112.8 24.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.36 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.03 -2.9 0.47 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.434 ' H ' ' C ' ' A' ' 8' ' ' SER . 58.0 mtt85 -92.03 -53.62 4.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.655 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.428 ' NH2' ' HZ1' ' A' ' 4' ' ' LYS . 2.7 mtt-85 -69.32 -13.35 62.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.656 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' A' ' 16' ' ' THR . 47.6 tt0 -76.94 -50.78 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.422 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.71 -37.31 65.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.598 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.16 -24.83 60.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.526 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 11' ' ' ARG . 56.7 m -86.27 -21.72 27.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.285 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -78.3 -53.73 6.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.473 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -47.59 -24.64 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.21 -48.17 18.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.359 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.588 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -78.18 -46.61 20.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.141 179.765 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.427 ' N ' ' HD3' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -45.16 -28.48 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.201 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.9 ttt85 -74.37 -50.09 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.494 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.007 HG21 ' CE2' ' A' ' 27' ' ' TYR . 10.6 t -88.06 -5.1 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.736 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.8 OUTLIER 46.27 47.94 13.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.755 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 26' ' ' ASP . 8.1 m -123.71 104.94 9.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.616 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.23 -15.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.47 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 24' ' ' THR . 3.0 t70 -83.66 -47.74 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.406 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.007 ' CE2' HG21 ' A' ' 22' ' ' VAL . 2.5 m-85 -44.64 -44.11 8.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.36 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -53.83 -53.84 46.81 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -61.13 -20.29 62.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.753 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.88 -13.31 59.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.73 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 43.4 t -86.38 -36.72 19.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.221 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' A' ' 3' ' ' ASP . 2.6 t -76.51 -14.25 60.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.712 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 1.062 HG22 ' H ' ' A' ' 34' ' ' SER . 5.7 m -52.42 -164.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 1.062 ' H ' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -50.11 -173.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.902 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.478 ' N ' ' OG ' ' A' ' 34' ' ' SER . 15.2 mt-10 -83.49 -29.48 27.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.667 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.6 m -57.97 -65.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.6 m -52.82 -35.6 57.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.455 ' CD2' ' O ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -53.69 -50.41 65.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.902 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -61.69 -30.02 70.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.294 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -71.73 -45.47 61.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.405 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.2 -44.67 16.3 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.369 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.44 ' N ' ' OE1' ' A' ' 42' ' ' GLN . 1.8 mp0 -71.03 -34.13 70.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.108 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 47' ' ' GLN . 92.9 m -64.96 -37.85 89.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.284 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' HIS . 2.0 mtt -68.39 -48.02 65.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.218 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' MET . 11.1 mt -36.3 -33.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.383 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.467 ' O ' ' O ' ' A' ' 47' ' ' GLN . 5.8 t60 -178.67 67.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.385 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' THR . 1.7 tt0 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.6 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.615 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER 32.02 31.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.49 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.615 ' N ' ' O ' ' A' ' 1' ' ' ALA . 0.5 OUTLIER -80.8 -22.51 39.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.615 ' C ' ' H ' ' A' ' 6' ' ' GLU . 19.1 tttp -176.11 114.44 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.602 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.438 ' SG ' ' C ' ' A' ' 4' ' ' LYS . 1.3 m 66.18 -30.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.403 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.615 ' H ' ' C ' ' A' ' 4' ' ' LYS . 18.8 mt-10 -58.92 -28.28 66.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.424 . . . . 0.0 110.086 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -34.95 77.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.237 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m -129.72 84.95 2.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.755 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tp -57.15 -15.02 4.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.157 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -72.09 -19.5 61.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.325 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.446 HH11 ' HG3' ' A' ' 11' ' ' ARG . 38.7 mtt85 -98.35 -17.27 18.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.349 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -78.84 -30.17 45.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.1 mt -72.86 -34.01 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.611 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.05 -48.11 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.159 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.712 ' SG ' ' CE2' ' A' ' 38' ' ' PHE . 57.8 m -61.66 -13.14 19.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.305 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.7 m -78.87 -33.1 46.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.721 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -73.26 -24.13 60.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.481 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -41.91 33.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.546 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 1.6 ptm180 -64.45 -41.2 96.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 0.0 110.339 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -58.31 -24.77 60.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.175 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.25 -31.3 64.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.371 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.703 HG21 ' CD2' ' A' ' 27' ' ' TYR . 14.2 t -106.97 -4.67 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.688 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER 45.19 35.09 1.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.689 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 26' ' ' ASP . 95.7 m -135.14 121.26 20.05 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.49 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -53.05 -36.04 60.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.668 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.448 ' H ' HG22 ' A' ' 24' ' ' THR . 5.3 t0 -62.01 -21.76 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.703 ' CD2' HG21 ' A' ' 22' ' ' VAL . 1.2 t80 -86.49 -12.95 47.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.529 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -79.7 -56.97 3.9 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.355 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -57.92 -26.35 62.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.013 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.416 ' O ' ' OG1' ' A' ' 33' ' ' THR . 2.4 mm-40 -62.45 -30.02 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.025 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.49 ' C ' ' H ' ' A' ' 33' ' ' THR . 51.6 t -70.31 -55.41 9.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.653 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 2.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.791 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.769 HG22 ' H ' ' A' ' 34' ' ' SER . 1.0 OUTLIER -76.96 -153.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.915 0.388 . . . . 0.0 111.055 -179.758 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.769 ' H ' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -33.15 128.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.3 -34.78 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.363 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.71 -32.61 74.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.44 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.0 m -74.05 -29.19 61.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.302 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.712 ' CE2' ' SG ' ' A' ' 15' ' ' CYS . 1.9 t80 -60.32 -41.49 93.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.283 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -79.25 -22.83 44.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.487 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -65.65 -38.0 88.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.364 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.678 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -66.24 -59.78 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.373 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -39.33 -38.47 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.444 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.1 m -72.05 -35.24 69.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.557 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.6 mtt -102.34 5.18 39.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.168 0.509 . . . . 0.0 109.872 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.678 ' N ' ' O ' ' A' ' 41' ' ' CYS . 5.1 tp -115.13 -47.07 2.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.296 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.557 ' O ' ' O ' ' A' ' 47' ' ' GLN . 9.2 t-80 -80.67 -48.1 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.706 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.557 ' O ' ' O ' ' A' ' 46' ' ' HIS . 18.9 mt-30 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.569 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.616 ' H ' ' CB ' ' A' ' 6' ' ' GLU . 9.3 t70 60.33 6.53 1.05 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.423 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER -34.74 -69.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.442 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.485 ' C ' ' OD1' ' A' ' 7' ' ' ASP . 3.8 tptm -149.73 -29.58 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.768 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -109.22 -35.7 6.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.616 ' CB ' ' H ' ' A' ' 2' ' ' ASP . 3.4 mp0 -56.34 -27.24 55.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.375 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.485 ' OD1' ' C ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -59.36 -58.83 6.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.17 105.32 17.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.5 mt -45.37 -26.43 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.623 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.38 -45.53 79.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -60.5 -26.73 67.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.516 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -74.89 -37.81 62.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.66 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 mm -66.88 -39.69 84.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.029 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.39 -33.87 67.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.477 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.698 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 65.5 m -75.33 -26.65 58.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.374 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.9 m -71.89 -32.46 67.45 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -71.67 -17.94 62.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.052 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.0 t -79.88 -39.23 30.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.278 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.682 ' O ' ' N ' ' A' ' 23' ' ' ARG . 5.3 ptm180 -74.52 -40.84 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.362 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 25.1 t0 -60.37 -27.87 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.453 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -65.79 -50.6 64.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.314 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.45 HG11 ' CE2' ' A' ' 27' ' ' TYR . 1.8 t -98.13 -5.41 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.314 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.682 ' N ' ' O ' ' A' ' 19' ' ' ARG . 4.5 mtt180 49.97 35.26 9.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.504 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.46 115.12 19.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -48.59 -22.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -74.88 -26.04 59.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.634 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.45 ' CE2' HG11 ' A' ' 22' ' ' VAL . 1.4 m-85 -83.16 -0.83 51.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.674 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -87.59 -49.94 6.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.12 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.93 -21.19 66.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.03 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.82 -20.53 64.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.915 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.693 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 41.2 t -79.8 -59.49 2.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.781 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.582 ' O ' ' O ' ' A' ' 33' ' ' THR . 3.4 t -57.88 -13.79 5.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.829 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.582 ' O ' ' O ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -54.19 -144.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.613 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.17 162.46 28.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -54.87 -43.04 72.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.579 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -48.69 -47.34 40.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.96 -34.97 77.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.698 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -65.11 -45.48 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -65.04 -52.62 54.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.619 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -44.86 -53.54 7.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.509 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.5 t -55.49 -50.24 70.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.465 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -55.2 -24.38 26.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.416 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.83 -42.78 16.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.798 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.53 -10.22 59.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.773 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mt -75.62 -38.55 58.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.869 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.541 ' O ' ' C ' ' A' ' 47' ' ' GLN . 15.1 t-80 -134.1 17.41 3.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.707 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.541 ' C ' ' O ' ' A' ' 46' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.593 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.3 tttp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.875 0.369 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.6 m -117.71 -62.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.401 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -30.47 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.263 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -55.26 -45.66 76.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.386 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.33 114.92 29.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.406 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.11 -3.7 31.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.682 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.88 -33.97 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.393 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -74.92 -33.3 61.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.355 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 16' ' ' THR . 19.9 tt0 -60.56 -52.6 64.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.58 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 54.3 mt -51.0 -26.23 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.431 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.19 -51.13 6.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.485 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.5 m -72.33 -12.75 61.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 12' ' ' GLU . 2.9 m -78.1 -32.82 50.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.519 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -84.55 -23.47 29.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.6 m -69.07 -33.97 74.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.736 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.464 ' HG2' ' CE2' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -75.49 -28.82 59.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.548 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 17.9 m-20 -84.43 -17.07 40.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.44 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -52.09 27.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.444 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.597 HG21 ' CZ ' ' A' ' 27' ' ' TYR . 39.6 t -95.86 -1.33 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.493 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 51.64 36.01 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.524 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.704 HG22 ' H ' ' A' ' 26' ' ' ASP . 27.7 m -129.32 119.88 24.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.563 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.68 -16.07 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.734 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.704 ' H ' HG22 ' A' ' 24' ' ' THR . 0.5 OUTLIER -78.16 -21.6 49.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.584 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.597 ' CZ ' HG21 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -76.93 -28.7 55.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.384 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.464 ' CE2' ' HG2' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -62.54 -64.72 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.599 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.448 ' O ' ' OG1' ' A' ' 33' ' ' THR . 47.3 t80 -55.31 -31.82 61.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.751 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.91 -11.44 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.722 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.2 t -92.56 -30.31 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.797 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.55 3.68 39.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.863 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -129.01 176.59 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.797 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.459 ' O ' ' O ' ' A' ' 33' ' ' THR . 11.7 t 51.19 170.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.83 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -109.05 -40.17 5.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.562 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -53.28 57.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.9 m -57.05 -28.58 62.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.345 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.58 -43.58 66.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.606 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -30.34 54.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.674 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -72.28 -24.86 61.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -59.94 4.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.56 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.16 -54.48 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.682 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -53.77 -28.54 35.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -20.9 45.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.5 mt -84.19 -41.11 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.456 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.505 ' O ' ' O ' ' A' ' 47' ' ' GLN . 33.6 t-80 -91.14 -29.82 17.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.505 ' O ' ' O ' ' A' ' 46' ' ' HIS . 3.0 pt20 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.589 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.615 ' HZ2' ' NH2' ' A' ' 11' ' ' ARG . 24.2 tttp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.884 0.373 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.8 -57.74 0.87 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.668 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.28 -0.77 3.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.907 0.384 . . . . 0.0 110.26 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.607 ' OD1' ' N ' ' A' ' 8' ' ' SER . 32.6 p-10 -89.52 -41.15 12.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.393 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.607 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 48.4 m -100.23 131.72 46.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.515 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.18 -0.25 51.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.603 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.409 ' HG2' ' NH1' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -100.9 -27.08 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.386 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.615 ' NH2' ' HZ2' ' A' ' 4' ' ' LYS . 9.0 mtm180 -96.92 -12.22 23.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.159 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' THR . 8.3 tt0 -82.64 -49.73 9.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.387 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mt -62.35 -23.39 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.132 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.98 -16.29 30.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.541 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.686 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 56.4 m -110.84 -9.85 14.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.487 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 12' ' ' GLU . 43.5 m -88.54 -29.57 19.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.418 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -82.18 -20.5 37.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.468 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.85 -48.19 66.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.699 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.662 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -75.95 -45.92 32.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.365 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 41.1 t0 -44.62 -32.24 1.4 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.329 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -77.25 -48.48 17.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.241 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.569 HG21 ' CD2' ' A' ' 27' ' ' TYR . 3.3 t -82.52 -5.81 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.3 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.662 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER 39.28 48.51 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.732 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.505 ' OG1' ' O ' ' A' ' 22' ' ' VAL . 1.4 m -140.55 112.11 7.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.619 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -46.16 -30.12 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.628 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -66.05 -25.2 66.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.993 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.569 ' CD2' HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -79.45 -44.19 21.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.65 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 16' ' ' THR . 0.6 OUTLIER -50.13 -51.66 41.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.76 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -67.27 -17.19 64.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.666 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -77.66 -12.4 59.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.687 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.52 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 43.2 t -88.89 -45.33 9.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.655 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.64 -0.63 21.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.963 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -69.97 -164.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.6 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -36.98 142.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.615 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -52.76 -45.19 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.437 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.8 p -46.49 -51.7 14.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.378 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.5 m -65.29 -31.43 72.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.293 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.686 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 2.0 t80 -62.91 -54.63 35.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.528 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -59.28 -17.17 26.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.744 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -81.74 -36.11 28.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.666 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -22.06 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.531 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -91.37 -26.01 19.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.48 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.4 m -76.05 -28.45 57.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.695 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.0 mtt -79.24 -46.96 16.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 45' ' ' LEU . 23.4 mt -51.67 -34.46 38.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.771 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -101.19 -63.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.711 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.553 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.457 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 23.9 tttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.736 0.303 . . . . 0.0 110.484 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.87 -62.25 1.59 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.651 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -64.33 -15.41 60.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.664 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -66.82 -28.41 68.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.627 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.4 p -150.48 115.45 5.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.733 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.48 -7.82 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -25.15 61.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.238 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 mtm-85 -98.42 -31.37 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.319 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.555 ' O ' ' OG1' ' A' ' 16' ' ' THR . 3.1 tp10 -65.51 -28.36 69.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.551 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.7 mt -86.61 -30.09 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.609 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.9 -21.43 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.982 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 67.1 m -88.48 -3.45 58.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.824 0.345 . . . . 0.0 110.645 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.555 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 2.8 m -87.86 -53.99 4.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.278 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.39 -35.04 37.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.183 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -55.95 17.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.748 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -69.03 -41.55 77.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -51.2 -26.36 6.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.26 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -59.22 2.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.296 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.562 HG21 ' CE2' ' A' ' 27' ' ' TYR . 3.1 t -78.0 -5.43 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.5 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.7 mtt-85 46.87 38.08 5.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.747 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -126.24 108.67 11.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.495 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 17.8 p30 -46.65 -23.69 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.562 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.662 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 27.1 t70 -67.86 -27.51 66.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.562 ' CE2' HG21 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -69.38 -52.98 21.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.562 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -42.68 -54.26 4.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.277 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -56.29 -30.51 62.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.959 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -69.87 -23.9 63.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.12 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.7 t -82.92 -45.4 14.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.518 ' O ' ' O ' ' A' ' 33' ' ' THR . 2.3 t -71.14 -8.98 57.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.721 HG22 ' H ' ' A' ' 34' ' ' SER . 1.7 m -56.64 -146.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.375 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.721 ' H ' HG22 ' A' ' 33' ' ' THR . 0.3 OUTLIER -73.26 170.16 15.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.685 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -63.63 -49.51 72.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.92 -40.84 6.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.85 -29.63 50.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.714 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -55.13 -42.58 73.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.58 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -71.85 -37.98 70.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.484 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -50.57 -51.43 48.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.333 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.28 -47.92 65.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.311 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -57.61 -35.9 71.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.217 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.7 m -59.65 -31.0 69.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.531 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.7 ttt -79.63 -30.22 41.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.728 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.1 mt -73.55 -23.02 59.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.507 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' A' ' 47' ' ' GLN . 61.3 t-80 -107.6 -43.98 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.445 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.558 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.874 0.369 . . . . 0.0 110.576 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 30.8 m -97.54 -44.11 6.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.396 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -59.59 -17.66 34.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.48 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -78.89 -33.16 45.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.629 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.77 110.33 11.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.485 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.61 -34.8 69.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.644 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -36.15 82.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.022 0.439 . . . . 0.0 110.083 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -68.95 -25.52 64.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.299 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' CYS . 3.4 tt0 -70.67 -60.73 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.3 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.8 mt -42.57 -26.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.268 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 12' ' ' GLU . . . -74.99 -40.72 60.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.174 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.507 ' N ' ' O ' ' A' ' 12' ' ' GLU . 98.3 m -73.9 -24.38 59.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.389 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.7 m -74.73 -24.93 58.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.353 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -83.87 -22.45 31.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.476 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 m -74.23 -47.61 34.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.288 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.622 ' O ' ' N ' ' A' ' 23' ' ' ARG . 1.8 ptm180 -54.35 -35.82 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.154 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.442 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 6.9 t70 -66.17 -33.06 74.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.481 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.678 ' NE ' ' SD ' ' A' ' 44' ' ' MET . 26.5 ttm105 -60.72 -28.15 68.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.594 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.548 HG11 ' CD2' ' A' ' 27' ' ' TYR . 1.5 t -118.72 -14.89 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.622 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.8 mtp180 57.45 46.11 18.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.817 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 m -146.19 121.97 10.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.766 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -51.15 -33.64 27.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.364 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.53 -15.88 59.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.51 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.548 ' CD2' HG11 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -100.6 4.3 43.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.809 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -93.54 -42.49 9.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 109.924 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -70.23 -22.56 62.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.918 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.06 -25.49 66.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.269 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.6 t -76.46 -46.29 27.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.385 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -3.5 3.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.456 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.488 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -145.87 -150.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.738 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 33' ' ' THR . 41.8 t 32.2 93.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.726 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 36' ' ' SER . 13.2 pt-20 -62.53 -34.55 77.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.195 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -55.89 -60.44 3.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.336 179.792 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.6 m -63.18 -35.66 81.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.406 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -55.11 -55.71 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.414 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -48.43 -47.3 38.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.62 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -60.51 -52.18 66.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.556 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -40.88 13.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.508 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -72.48 -51.33 20.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.366 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 47' ' ' GLN . 2.8 m -48.48 -34.9 11.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.393 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.678 ' SD ' ' NE ' ' A' ' 21' ' ' ARG . 7.7 ttm -76.97 -45.56 27.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.41 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 45' ' ' LEU . 15.2 mt -55.86 -12.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.544 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -121.6 -34.65 3.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.569 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.117 -0.945 . . . . 0.0 110.483 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.575 ' C ' ' SG ' ' A' ' 32' ' ' CYS . 7.5 mmmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.749 0.309 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.574 ' O ' ' N ' ' A' ' 7' ' ' ASP . 13.2 m -111.34 -85.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 5' ' ' CYS . 1.5 tt0 -36.82 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.593 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.574 ' N ' ' O ' ' A' ' 5' ' ' CYS . 1.4 m-20 -58.59 -9.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.579 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.588 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.2 p -159.14 86.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.566 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.407 HD23 ' OE1' ' A' ' 12' ' ' GLU . 6.1 mt -42.54 -15.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.624 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 8' ' ' SER . 0.7 OUTLIER -78.11 -47.32 18.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.75 -179.734 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -66.93 -17.05 64.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.747 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.407 ' OE1' HD23 ' A' ' 9' ' ' LEU . 20.9 tt0 -72.75 -43.93 62.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.745 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.1 mt -54.79 -55.09 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.85 93.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.722 ' SG ' ' CE2' ' A' ' 28' ' ' PHE . 35.5 t -64.19 -46.49 83.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.698 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.9 m -57.71 -48.25 80.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.308 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -58.02 -23.41 54.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.487 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -77.04 -52.47 9.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.555 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.58 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -72.46 -45.75 58.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.625 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.419 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 3.0 t70 -54.24 -15.09 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.148 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -91.55 -29.0 17.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.124 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.78 HG21 ' CE2' ' A' ' 27' ' ' TYR . 2.3 t -105.4 -8.26 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.306 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.58 ' N ' ' O ' ' A' ' 19' ' ' ARG . 13.5 mtm180 48.64 39.7 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.711 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.571 ' C ' ' H ' ' A' ' 26' ' ' ASP . 0.5 OUTLIER -120.54 117.58 27.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.599 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.65 2.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.363 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.571 ' H ' ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -101.75 -39.81 7.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.818 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.78 ' CE2' HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -50.21 -52.97 31.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.568 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.722 ' CE2' ' SG ' ' A' ' 15' ' ' CYS . 16.2 t80 -51.37 -61.05 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.537 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.447 ' O ' ' OG1' ' A' ' 33' ' ' THR . 19.9 t80 -46.8 -35.75 6.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.902 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -70.61 -21.65 62.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.533 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.742 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 3.2 p -75.8 -49.81 17.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.79 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.742 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -72.15 -0.58 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.866 -179.514 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.657 HG22 ' H ' ' A' ' 34' ' ' SER . 1.6 m -75.48 -144.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.358 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.657 ' H ' HG22 ' A' ' 33' ' ' THR . 0.5 OUTLIER -50.49 162.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.554 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.89 -38.21 76.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.502 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -51.52 57.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.438 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.74 -49.14 66.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.271 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -56.67 16.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.502 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.07 -31.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.692 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -68.75 -49.3 59.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.519 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.9 t -39.18 -36.73 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.392 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.51 -43.3 60.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.47 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 40' ' ' LYS . 95.9 m -52.69 -38.72 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.2 ttt -71.25 -45.24 63.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.613 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mt -46.82 -52.29 14.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.555 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -179.1 65.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.566 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.429 ' OXT' ' CD ' ' A' ' 47' ' ' GLN . 6.0 tm0? . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.595 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.6 mttt . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.755 0.312 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 83.2 m -107.55 -70.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.566 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.91 -10.27 27.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.355 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -67.66 -40.42 84.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.637 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 p -130.98 106.14 8.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.617 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 9' ' ' LEU . 14.7 tp -58.95 -15.27 12.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.385 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -83.08 -43.36 16.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.647 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -24.46 53.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.469 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 15' ' ' CYS . 32.0 tt0 -69.23 -58.61 3.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.614 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.9 mt -46.84 -31.92 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.488 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -33.97 67.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.324 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.522 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 56.5 m -75.92 -17.35 59.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.376 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.0 m -79.08 -47.96 15.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.43 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.42 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -54.9 -20.79 9.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.465 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 t -78.07 -53.39 7.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.037 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.628 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -66.56 -33.64 76.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.677 -179.682 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -68.63 -34.16 75.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.371 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -19.81 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.263 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.539 ' O ' ' C ' ' A' ' 23' ' ' ARG . 2.9 t -119.75 -5.24 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.52 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' A' ' 19' ' ' ARG . 43.2 mtp85 28.49 56.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.642 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.628 ' C ' ' H ' ' A' ' 26' ' ' ASP . 1.0 OUTLIER -110.18 -10.76 14.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.515 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.0 t0 68.21 -25.13 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.19 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.628 ' H ' ' C ' ' A' ' 24' ' ' THR . 2.7 m-20 -88.11 -34.26 17.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.296 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.418 ' O ' ' CB ' ' A' ' 30' ' ' GLU . 1.8 m-85 -53.91 -47.61 70.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.274 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -52.13 -62.97 1.3 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.341 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -50.95 -17.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.236 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 14.5 tt0 -75.99 -24.64 55.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.38 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -43.13 30.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.292 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -3.41 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.472 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.751 HG22 ' H ' ' A' ' 34' ' ' SER . 1.1 m -73.88 -152.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.608 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.751 ' H ' HG22 ' A' ' 33' ' ' THR . 31.3 t -66.97 169.47 8.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.434 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -63.81 -37.69 88.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 p -50.01 -56.5 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -30.01 70.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.053 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.522 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -53.81 -40.23 66.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.05 -179.672 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.533 ' O ' ' OG1' ' A' ' 43' ' ' THR . 1.5 mtpm? -74.12 -41.6 61.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.312 . . . . 0.0 110.99 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -46.53 -43.38 16.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -55.45 14.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.858 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -23.25 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.665 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.533 ' OG1' ' O ' ' A' ' 39' ' ' LYS . 1.7 m -74.6 -43.05 57.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.477 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.546 ' O ' ' O ' ' A' ' 47' ' ' GLN . 1.1 mtp -67.84 -33.64 75.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.386 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.4 -57.37 11.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.493 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -64.74 -29.21 70.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.493 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.546 ' O ' ' O ' ' A' ' 44' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.518 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.452 ' HD2' HH21 ' A' ' 11' ' ' ARG . 2.6 mmmp? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.673 0.273 . . . . 0.0 110.759 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 90.9 m -113.38 -38.22 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.727 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.576 ' OE1' ' N ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -74.53 -14.25 60.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -65.49 -42.4 92.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.675 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -123.36 106.0 10.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.752 -179.835 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.9 mt -42.59 -20.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.572 ' C ' ' H ' ' A' ' 12' ' ' GLU . 16.5 ttm-85 -78.09 -52.78 8.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.494 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.452 HH21 ' HD2' ' A' ' 4' ' ' LYS . 14.5 mmm-85 -62.96 7.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.487 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.572 ' H ' ' C ' ' A' ' 10' ' ' ARG . 25.4 tt0 -100.56 -51.75 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.769 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -52.47 -42.12 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.36 -23.5 67.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.5 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.789 ' SG ' ' CE1' ' A' ' 28' ' ' PHE . 13.1 t -83.81 -28.01 28.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.548 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 m -72.13 -51.86 19.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.461 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -48.12 -23.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.713 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.4 -56.05 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.538 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.565 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.7 OUTLIER -73.42 -37.33 65.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.583 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -58.88 -20.27 49.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.751 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 ttt-85 -83.74 -50.26 8.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.374 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.661 HG21 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -86.57 -7.57 10.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.38 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' A' ' 19' ' ' ARG . 3.1 mtt-85 49.76 44.64 24.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.683 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 26' ' ' ASP . 0.6 OUTLIER -134.32 113.37 11.86 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.75 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -51.27 -12.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.375 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.452 ' N ' ' C ' ' A' ' 24' ' ' THR . 4.6 m-20 -80.09 -22.81 41.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.747 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.661 ' CE2' HG21 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -76.82 -49.36 15.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.553 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.789 ' CE1' ' SG ' ' A' ' 15' ' ' CYS . 6.6 t80 -44.73 -53.1 7.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.685 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -55.5 -34.81 64.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.031 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' O ' ' OG1' ' A' ' 33' ' ' THR . 0.1 OUTLIER -67.84 -9.61 45.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.599 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.771 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.8 p -85.91 -52.0 6.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.24 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.771 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -77.92 -3.73 43.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.884 -179.452 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -61.25 -169.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.198 179.63 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 p -46.14 166.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.348 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 38' ' ' PHE . 6.6 mp0 -61.02 -58.15 9.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.588 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -38.31 -41.1 0.59 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.598 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -37.02 71.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.712 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -54.92 -56.5 18.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.38 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -54.53 -30.27 53.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.289 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -61.22 -34.34 74.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.628 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -42.76 67.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.64 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.651 ' HA ' HD12 ' A' ' 45' ' ' LEU . 26.5 tt0 -58.14 -33.18 68.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.52 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -33.72 76.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.419 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 ttt -83.01 -12.17 57.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.393 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 42' ' ' GLN . 68.7 mt -79.93 -16.65 54.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.591 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -114.83 -62.57 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.51 179.902 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.585 ' C ' ' H ' ' A' ' 6' ' ' GLU . 9.9 tttt . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.947 0.403 . . . . 0.0 110.465 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.506 ' SG ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 55.24 0.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.394 -179.671 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.585 ' H ' ' C ' ' A' ' 4' ' ' LYS . 33.5 mt-10 -104.12 -24.3 13.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.361 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -137.99 25.56 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.487 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.9 p -119.19 126.41 51.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.646 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.55 ' C ' ' H ' ' A' ' 11' ' ' ARG . 5.2 mt -96.79 -61.84 1.35 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.591 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -52.84 -4.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.648 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.55 ' H ' ' C ' ' A' ' 9' ' ' LEU . 11.2 ttt85 -111.81 -28.79 7.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.747 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -76.97 -26.72 54.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.3 mt -78.24 -26.84 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.633 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.4 -25.78 19.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.821 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 90.3 m -86.6 -23.16 25.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.708 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.8 m -79.86 -23.32 42.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.59 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -81.93 -16.04 51.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.2 -40.66 12.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' ARG . 26.7 ptt180 -70.13 -35.48 74.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.708 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 36.7 t70 -64.36 -26.08 68.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.392 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -65.43 -50.44 65.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.368 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.811 HG21 ' CD2' ' A' ' 27' ' ' TYR . 1.9 t -97.52 -4.28 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.431 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' ARG . 76.8 mtm-85 50.31 29.27 3.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.573 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 26' ' ' ASP . 7.2 m -119.36 122.85 42.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.28 -31.28 61.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.431 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.415 ' H ' HG22 ' A' ' 24' ' ' THR . 0.4 OUTLIER -65.49 -20.61 66.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.426 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.811 ' CD2' HG21 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -89.4 -4.41 58.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.356 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -87.75 -57.2 3.03 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.29 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -51.23 -35.92 39.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.427 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.541 ' O ' ' OG1' ' A' ' 33' ' ' THR . 4.2 mm-40 -52.79 -36.77 58.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.484 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.477 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 40.8 t -70.12 -46.44 64.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.784 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.466 ' HA ' ' HE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -70.97 7.3 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.797 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.541 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -82.99 -159.53 0.34 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.588 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.534 ' O ' ' O ' ' A' ' 33' ' ' THR . 0.3 OUTLIER -46.17 -178.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.56 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -87.47 -11.97 47.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.449 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -77.07 -63.02 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.396 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.97 -16.95 2.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.265 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.477 ' CD2' ' O ' ' A' ' 31' ' ' CYS . 1.2 t80 -63.61 -47.48 81.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.251 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.601 ' O ' ' N ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -63.66 -57.45 10.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.186 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' LYS . 8.0 tttp -39.73 -21.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.955 0.407 . . . . 0.0 110.063 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.601 ' N ' ' O ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -94.47 -51.0 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.27 179.83 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -63.6 -32.68 74.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.388 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.4 m -65.31 -24.2 67.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.513 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.8 mtp -88.17 -14.46 38.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.608 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 45' ' ' LEU . 6.3 mt -76.48 -36.58 57.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.571 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.414 ' O ' ' CG ' ' A' ' 46' ' ' HIS . 0.6 OUTLIER -167.59 55.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.612 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.54 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.601 ' C ' ' H ' ' A' ' 6' ' ' GLU . 1.7 tppp? . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.9 0.381 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.465 ' SG ' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 49.94 4.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.56 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.601 ' H ' ' C ' ' A' ' 4' ' ' LYS . 3.0 tt0 -111.55 -23.14 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.314 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -122.98 -25.47 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.718 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.547 ' C ' ' H ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -67.32 83.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.986 0.422 . . . . 0.0 110.357 179.781 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 mp -59.72 4.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.031 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.547 ' H ' ' C ' ' A' ' 8' ' ' SER . 28.6 mtp85 -108.0 -22.99 12.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.773 0.321 . . . . 0.0 110.831 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 mtm-85 -110.41 -7.42 14.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.034 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.439 ' O ' ' OG1' ' A' ' 16' ' ' THR . 8.3 tm-20 -89.01 -26.08 21.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.311 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.2 mt -80.09 -30.94 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.32 -51.43 6.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.0 m -59.8 -15.01 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 16.9 m -77.71 -33.89 52.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.264 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -79.2 -23.62 43.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.646 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.531 ' SG ' HD11 ' A' ' 45' ' ' LEU . 2.1 m -74.87 -55.56 5.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 3.8 ptt-85 -56.23 -39.49 72.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.664 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.48 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -60.48 -31.48 70.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -69.42 -47.12 65.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.56 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.603 HG21 ' CD1' ' A' ' 27' ' ' TYR . 16.6 t -81.66 -26.47 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.525 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' ARG . 30.6 mtp180 64.06 40.6 6.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.619 HG22 ' H ' ' A' ' 26' ' ' ASP . 18.1 m -141.9 117.73 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.557 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -23.56 19.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.619 ' H ' HG22 ' A' ' 24' ' ' THR . 1.1 t70 -79.41 -10.39 59.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.516 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.603 ' CD1' HG21 ' A' ' 22' ' ' VAL . 21.8 t80 -95.11 -18.24 21.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.59 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.11 -48.97 61.14 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.389 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -58.23 -32.12 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.41 . . . . 0.0 109.933 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.521 ' O ' ' OG1' ' A' ' 33' ' ' THR . 1.3 tt0 -61.84 -24.65 67.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.332 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.502 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 39.3 t -75.51 -36.85 60.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.429 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.39 2.42 28.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.029 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.521 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -69.42 -153.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 0.0 110.848 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 t -51.96 166.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -73.45 -37.31 65.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.577 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.53 -34.93 62.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.428 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -25.24 27.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.367 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 31' ' ' CYS . 2.4 t80 -68.46 -48.88 63.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.575 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -57.83 -45.12 86.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.77 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -54.27 -43.47 71.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.657 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -58.84 -27.51 65.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.572 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -82.1 -25.59 34.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -71.3 -32.66 68.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.339 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 24.3 mtp -82.67 -20.5 36.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.314 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.531 HD11 ' SG ' ' A' ' 18' ' ' CYS . 80.7 mt -85.65 -17.66 35.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.483 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -99.45 -40.34 7.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.557 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.6 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.893 0.378 . . . . 0.0 110.434 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.2 m -94.71 -79.22 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.339 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -44.13 -27.76 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.367 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -62.12 -62.3 1.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.637 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -92.38 106.91 18.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.691 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.99 0.88 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.241 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.499 ' H ' ' C ' ' A' ' 8' ' ' SER . 8.7 ttm105 -99.03 -32.53 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.627 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.31 -8.95 58.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -84.63 -38.33 19.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.765 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.453 ' N ' HD13 ' A' ' 13' ' ' ILE . 5.0 mm -65.08 -33.46 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.649 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.61 -45.07 39.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.306 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.4 m -66.51 -21.54 66.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.44 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.8 m -80.27 -49.32 11.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.931 0.396 . . . . 0.0 110.223 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -56.47 -20.41 19.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.292 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.29 -58.91 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.624 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.669 ' O ' ' N ' ' A' ' 23' ' ' ARG . 22.0 ptt180 -56.18 -36.95 68.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 13.8 t70 -56.1 -36.3 68.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.545 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -60.86 -47.73 85.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.489 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.497 HG21 ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -95.59 -8.38 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.425 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.669 ' N ' ' O ' ' A' ' 19' ' ' ARG . 52.7 mtt85 48.75 34.6 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.785 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.605 ' C ' ' H ' ' A' ' 26' ' ' ASP . 1.3 m -117.83 121.67 41.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.512 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.09 0.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.51 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.605 ' H ' ' C ' ' A' ' 24' ' ' THR . 15.3 t0 -96.94 -45.36 6.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.573 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.497 ' CD2' HG21 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -61.06 -13.31 16.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.497 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -74.43 -63.68 1.19 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.849 0.356 . . . . 0.0 110.145 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -44.89 48.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.119 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.556 ' HB3' HG21 ' A' ' 37' ' ' THR . 3.2 tt0 -43.48 -27.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.346 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.5 t -81.06 -50.44 9.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.506 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.33 -6.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.58 -173.09 4.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.949 0.404 . . . . 0.0 110.915 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t 50.49 96.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.618 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 36' ' ' SER . 21.1 pt-20 -53.51 -39.12 64.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.525 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.435 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 34.1 t -54.78 -39.43 68.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.491 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.556 HG21 ' HB3' ' A' ' 30' ' ' GLU . 63.6 m -74.86 -41.43 59.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.403 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.97 -30.27 24.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.376 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.71 -37.07 12.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.394 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.41 -23.51 67.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.4 t -68.37 -62.37 1.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.729 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.667 ' NE2' ' O ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -49.94 -28.02 6.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.74 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.2 m -82.83 -35.64 26.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.719 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -72.18 -7.61 50.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.558 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 45' ' ' LEU . 27.1 mt -90.73 -45.15 9.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.476 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -73.42 -26.9 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.532 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.53 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 120.926 0.393 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.3 m -103.47 -80.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.662 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -47.37 -21.84 0.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.434 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -64.91 -36.7 85.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.425 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 p -123.15 119.06 29.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.452 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.4 mm? -65.19 -57.32 8.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.732 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -38.51 -46.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.628 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.639 ' NH1' ' CE2' ' A' ' 38' ' ' PHE . 8.4 ttm-85 -59.48 -43.32 93.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -61.64 -34.95 76.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.478 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -69.21 -27.83 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.74 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.93 -41.01 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.621 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.5 m -73.12 -15.32 61.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.5 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -74.32 -30.93 62.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.22 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -80.29 -23.39 40.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.458 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.93 -32.3 67.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.759 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.506 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 0.4 OUTLIER -84.4 -42.75 15.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.582 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 5.7 m-20 -65.96 -16.33 63.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.33 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.443 ' NH2' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -74.14 -44.88 52.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.425 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.17 -11.65 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.665 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 19' ' ' ARG . 7.2 mtp-105 58.99 47.25 12.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.637 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.768 HG22 ' H ' ' A' ' 26' ' ' ASP . 2.6 m -137.18 117.21 13.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.5 -13.77 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.7 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.768 ' H ' HG22 ' A' ' 24' ' ' THR . 1.1 t0 -85.47 -26.77 26.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.684 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -78.91 -7.51 58.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.779 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -80.78 -62.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.273 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -54.15 -28.38 39.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 0.0 110.026 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.48 -30.69 68.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.393 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.426 ' SG ' ' CE2' ' A' ' 38' ' ' PHE . 51.5 t -74.59 -39.32 62.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.638 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 33' ' ' THR . 1.3 m -71.65 -11.25 60.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.791 HG22 ' H ' ' A' ' 34' ' ' SER . 1.6 m -59.27 -151.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.63 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.791 ' H ' HG22 ' A' ' 33' ' ' THR . 0.8 OUTLIER -76.47 -173.46 2.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.808 -179.812 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.657 ' N ' ' OG ' ' A' ' 34' ' ' SER . 24.9 mt-10 -75.13 -34.98 61.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.715 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.3 m -50.45 -44.7 55.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.74 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.09 -31.83 50.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.655 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CE2' ' NH1' ' A' ' 11' ' ' ARG . 1.6 t80 -61.03 -33.86 73.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.672 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -67.23 -42.98 83.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.638 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -56.97 -41.78 78.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -43.52 91.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -54.09 -29.73 45.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.518 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.1 m -77.73 -28.98 50.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.436 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.443 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 3.6 mmt -82.22 -46.0 14.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.514 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 45' ' ' LEU . 94.7 mt -50.74 -34.24 26.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.645 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -107.12 -73.07 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.63 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.579 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 tttp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.894 0.378 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.3 m -113.12 -57.17 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.357 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -67.19 -4.31 10.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.143 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -91.8 -52.24 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.238 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.73 122.58 46.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.379 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.27 -49.85 57.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.771 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.4 ' HG2' ' NH1' ' A' ' 10' ' ' ARG . 14.7 mtp85 -47.69 -25.46 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -75.92 -39.23 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.543 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 16' ' ' THR . 1.6 tt0 -62.83 -55.96 21.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.532 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -49.07 -30.19 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.342 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.49 -35.61 24.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.537 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.1 m -83.78 -17.27 41.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.45 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 12' ' ' GLU . 22.3 m -79.73 -22.95 42.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.49 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -93.64 -21.99 19.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.49 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.82 -43.24 47.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.648 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.31 -34.59 68.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.665 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.434 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 13.6 t0 -58.11 -29.54 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.528 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -70.64 -55.34 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 t -82.17 -9.26 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.537 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.0 mtp180 49.79 43.19 24.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -138.54 107.77 6.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.535 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -43.92 -39.68 4.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.238 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -53.23 -29.39 32.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.148 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -72.02 -38.78 69.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.409 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -49.68 -60.02 3.27 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.565 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.73 -37.53 19.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.492 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.08 -25.49 63.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.399 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 t -84.35 -20.18 32.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.419 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.9 -5.2 59.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.371 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.568 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER -151.25 -148.3 0.26 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.686 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.568 ' O ' ' O ' ' A' ' 33' ' ' THR . 4.3 t 42.1 103.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.563 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -3.53 2.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.346 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 34' ' ' SER . 1.4 m -88.43 -60.16 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.466 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.7 m -65.99 -14.93 62.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.578 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -80.56 -42.27 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.705 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -84.64 -15.82 44.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.769 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -46.43 8.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.686 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.8 t -65.82 -26.5 67.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.542 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -67.74 -31.44 71.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.041 -179.675 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -79.98 -32.82 39.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.8 mtp -75.13 -8.52 56.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.742 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 42' ' ' GLN . 5.0 mt -81.53 -48.76 11.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.662 ' O ' ' ND1' ' A' ' 46' ' ' HIS . 23.3 p80 -163.03 74.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.525 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.532 ' C ' ' O ' ' A' ' 46' ' ' HIS . 4.0 mt-30 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.52 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 tttt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.874 0.368 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -91.92 -70.54 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.73 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -44.99 -16.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 5' ' ' CYS . 4.5 t70 -66.75 -35.38 79.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.477 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.512 ' C ' ' H ' ' A' ' 10' ' ' ARG . 26.0 m -125.94 105.19 8.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.366 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.2 -5.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.512 ' H ' ' C ' ' A' ' 8' ' ' SER . 3.0 mmt180 -94.01 -19.69 20.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.798 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.04 -24.26 16.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.771 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.496 ' O ' ' OG1' ' A' ' 16' ' ' THR . 3.0 tm-20 -71.31 -41.32 70.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.448 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mm -62.4 -28.41 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.752 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.74 -23.58 45.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.031 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.633 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 84.6 m -94.31 -17.28 22.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.711 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.496 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 1.2 m -77.92 -33.45 51.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.54 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -76.48 -27.27 56.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.474 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.4 m -67.08 -46.47 74.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.446 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.613 ' O ' ' N ' ' A' ' 23' ' ' ARG . 9.2 ptm180 -71.79 -40.85 68.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.464 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.501 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 70.7 m-20 -57.51 -23.67 51.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.439 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -57.8 4.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.221 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 22' ' ' VAL . 16.4 t -91.51 -2.29 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.237 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.613 ' N ' ' O ' ' A' ' 19' ' ' ARG . 41.0 mtm180 46.36 42.07 10.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.642 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.7 m -131.49 114.8 15.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.431 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.3 -41.29 12.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.485 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -55.68 -15.73 3.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.62 -10.75 26.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.604 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -79.46 -42.22 25.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.323 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -71.44 -27.24 63.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.194 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -62.66 -15.06 50.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.27 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.675 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 40.8 t -94.75 -38.76 10.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.871 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.6 m -78.04 -4.19 45.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.731 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -167.52 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 p -43.45 147.32 0.41 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -53.53 -17.75 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.092 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -72.35 -55.98 6.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.223 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 m -59.11 -25.31 63.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.19 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.675 ' CZ ' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -66.95 -61.08 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.271 179.696 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -19.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.408 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -78.44 -31.22 47.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.698 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.26 -26.97 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.934 0.397 . . . . 0.0 110.1 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -74.48 -47.01 35.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.9 m -68.33 -35.09 77.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.485 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.77 -29.14 63.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.607 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -53.34 -45.46 69.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.471 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -178.75 49.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.46 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.515 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.7 mttt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.893 0.377 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.442 ' C ' ' N ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -102.39 -48.91 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.374 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -51.98 -12.23 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.378 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.442 ' N ' ' C ' ' A' ' 5' ' ' CYS . 19.2 t0 -81.88 -29.46 32.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.1 t -135.45 104.21 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.143 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 tp -58.25 -41.38 84.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.778 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -57.26 -11.69 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.78 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -41.94 10.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.584 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' OG1' ' A' ' 16' ' ' THR . 0.6 OUTLIER -65.89 -23.22 66.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -69.48 -37.52 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.541 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.592 ' HB1' HE22 ' A' ' 42' ' ' GLN . . . -78.43 -21.26 49.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.7 m -85.74 -22.0 27.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.605 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 6.7 m -70.74 -33.99 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.019 0.438 . . . . 0.0 110.201 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 3.5 mptp? -77.61 -16.18 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.299 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.26 -38.25 19.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.671 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -74.61 -32.22 62.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.657 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 5.4 t0 -71.49 -22.66 61.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.685 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.476 ' NH1' ' SD ' ' A' ' 44' ' ' MET . 34.0 ttt180 -67.25 -48.74 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.486 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.504 HG21 ' CD2' ' A' ' 27' ' ' TYR . 5.8 t -98.28 -6.67 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.495 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mtm-85 47.13 50.64 13.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.638 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.61 ' C ' ' H ' ' A' ' 26' ' ' ASP . 1.7 m -137.06 121.02 17.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -57.15 2.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.614 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.61 ' H ' ' C ' ' A' ' 24' ' ' THR . 8.0 t0 -101.41 -29.51 11.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.735 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.504 ' CD2' HG21 ' A' ' 22' ' ' VAL . 1.5 m-85 -77.51 -13.38 59.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.648 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -75.3 -49.34 19.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.35 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -64.91 -27.29 68.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.239 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.9 -13.13 62.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.773 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.7 t -86.21 -44.71 11.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.991 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.28 -1.7 50.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.144 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.55 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -57.1 -165.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.834 0.35 . . . . 0.0 110.766 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.55 ' O ' ' O ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -47.12 -173.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 -179.7 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -75.37 -46.44 33.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -54.57 -60.88 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.599 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -28.08 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.619 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.27 -63.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.478 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 43' ' ' THR . 10.8 mttt -47.66 -40.16 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.342 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.22 -52.26 28.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.21 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -48.21 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.592 HE22 ' HB1' ' A' ' 14' ' ' ALA . 3.5 tp60 -61.49 -21.92 64.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.634 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.582 ' O ' ' N ' ' A' ' 47' ' ' GLN . 87.8 m -71.64 -41.57 68.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.39 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.476 ' SD ' ' NH1' ' A' ' 21' ' ' ARG . 3.9 mtt -76.09 -8.89 58.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.605 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -89.95 -27.65 19.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.701 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -127.79 -24.54 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.984 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.582 ' N ' ' O ' ' A' ' 43' ' ' THR . 6.1 tt0 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.647 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 tptt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.82 0.343 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.624 ' O ' ' N ' ' A' ' 7' ' ' ASP . 12.1 m -99.39 -82.88 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.521 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 5' ' ' CYS . 1.0 OUTLIER -36.2 -24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.366 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.624 ' N ' ' O ' ' A' ' 5' ' ' CYS . 8.9 t0 -57.87 -54.62 44.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.609 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.46 ' C ' ' H ' ' A' ' 10' ' ' ARG . 75.7 m -99.14 103.53 15.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.06 -1.92 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.493 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.46 ' H ' ' C ' ' A' ' 8' ' ' SER . 10.3 mtt85 -95.23 -58.33 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.378 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -53.33 -38.71 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.23 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -54.4 -42.29 70.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.276 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.8 mt -64.1 -35.06 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.482 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.94 -14.39 61.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.212 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.4 m -103.82 -16.63 15.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.301 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.6 m -76.86 -28.24 55.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.609 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -92.47 -24.64 18.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.539 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.12 -39.26 55.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.487 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 4.1 ptm180 -68.28 -39.79 82.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.506 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.487 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -67.08 -17.6 64.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.332 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -69.8 -42.59 73.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.494 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.448 HG21 ' CG ' ' A' ' 27' ' ' TYR . 24.5 t -97.17 -14.51 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.596 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 64.13 27.91 14.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.501 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.565 HG22 ' H ' ' A' ' 26' ' ' ASP . 57.4 m -130.16 121.01 25.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.518 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.77 -28.65 50.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.756 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.565 ' H ' HG22 ' A' ' 24' ' ' THR . 1.8 t70 -69.22 -14.28 62.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.663 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.448 ' CG ' HG21 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -90.26 -7.08 54.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.572 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.403 ' HB2' ' HE ' ' A' ' 19' ' ' ARG . 50.9 t80 -82.31 -57.51 3.34 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.436 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.81 -32.35 19.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.667 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -62.74 -28.61 70.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.469 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.474 ' O ' ' CZ ' ' A' ' 38' ' ' PHE . 12.4 t -73.38 -39.8 64.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.18 -16.87 61.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.686 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.984 HG22 ' H ' ' A' ' 34' ' ' SER . 6.5 m -134.97 -145.23 0.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.62 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.984 ' H ' HG22 ' A' ' 33' ' ' THR . 19.2 t 37.49 88.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.474 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -49.11 -31.16 7.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.53 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -63.13 -62.46 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.673 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 m -53.4 -38.11 63.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.474 ' CZ ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -45.73 -47.46 15.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.736 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -66.31 -45.49 80.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.352 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -60.65 -31.3 70.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.656 0.265 . . . . 0.0 111.365 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.1 m -66.09 -39.91 90.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.921 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -76.66 -34.17 58.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.888 0.375 . . . . 0.0 110.541 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -63.9 -26.39 68.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.66 -31.29 15.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.626 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.22 -33.43 75.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.639 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -90.81 -66.61 0.91 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.545 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.48 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.43 ' C ' ' SG ' ' A' ' 32' ' ' CYS . 27.7 mttt . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.8 0.333 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.26 -49.15 2.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.458 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -89.45 -9.77 48.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.476 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.0 -21.4 19.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.642 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.75 114.62 14.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.611 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.55 -19.23 62.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.474 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -49.07 17.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.73 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -55.32 -28.01 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -68.91 -53.62 20.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.935 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.7 mt -49.61 -34.92 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.2 -50.38 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.0 m -59.67 -21.23 60.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.695 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.7 m -77.8 -33.36 52.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.55 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -70.97 -29.39 65.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.565 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.32 -58.6 4.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.701 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.621 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -60.95 -31.23 70.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.691 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 28.1 m-20 -57.45 -31.85 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.428 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 21' ' ' ARG . 17.6 ttm180 -69.72 -58.04 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.268 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.61 HG11 ' CE2' ' A' ' 27' ' ' TYR . 1.3 t -75.57 -19.37 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.089 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.621 ' N ' ' O ' ' A' ' 19' ' ' ARG . 3.1 mtt180 60.74 43.07 12.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.109 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.503 HG22 ' H ' ' A' ' 26' ' ' ASP . 6.6 m -132.44 136.24 46.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.786 0.327 . . . . 0.0 110.526 179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -66.0 -26.98 67.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.593 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.503 ' H ' HG22 ' A' ' 24' ' ' THR . 80.9 m-20 -70.74 -36.47 73.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.585 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.61 ' CE2' HG11 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -64.29 -21.45 66.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.491 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -72.19 -50.4 27.91 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.658 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.22 -13.09 24.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.56 ' O ' ' OG1' ' A' ' 33' ' ' THR . 4.8 tp10 -79.86 -27.29 40.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.588 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.7 -40.41 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.43 ' SG ' ' C ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -73.55 -0.51 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.958 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.56 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -64.4 -152.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.49 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.447 ' H ' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -66.1 -171.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.468 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -79.79 -38.87 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.562 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 p -47.94 -43.75 29.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.808 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.1 -33.12 33.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.716 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -61.28 -30.43 70.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.779 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -76.06 -41.27 51.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.726 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -60.08 -47.5 85.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.63 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.91 -46.21 10.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -71.33 -45.37 63.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.6 m -58.92 -25.51 63.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.351 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.29 -18.54 36.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.399 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 45' ' ' LEU . 11.9 mt -79.66 -21.58 44.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.555 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -103.08 -63.78 1.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.509 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 tttp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.829 0.347 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.6 m -85.03 -65.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.44 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.69 1.63 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.58 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -90.05 -16.64 29.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.528 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.03 106.46 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.573 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.47 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 3.9 mm? -66.33 -5.29 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.532 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -88.23 -55.36 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.868 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -68.24 -32.48 72.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.64 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -55.89 -29.58 60.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.5 mt -85.54 -46.02 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.833 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.8 -41.55 78.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.726 ' SG ' ' CZ ' ' A' ' 28' ' ' PHE . 6.2 t -62.6 -36.03 81.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.668 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.3 m -61.26 -43.22 99.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 110.057 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -58.85 -40.22 83.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.752 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.04 -46.06 86.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.251 -179.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' ARG . 2.2 tmt_? -80.71 -37.65 30.29 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.798 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.57 -18.37 65.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.287 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.2 ttt-85 -78.04 -35.41 49.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.163 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.827 HG21 ' CE2' ' A' ' 27' ' ' TYR . 4.5 t -103.6 -15.2 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.385 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' ARG . 56.8 mtm-85 58.99 46.4 13.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.7 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' TYR . 1.3 m -130.04 105.93 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.551 ' O ' ' OD1' ' A' ' 25' ' ' ASP . 65.7 t0 -46.95 -21.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.575 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -77.12 -28.67 54.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.641 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.827 ' CE2' HG21 ' A' ' 22' ' ' VAL . 1.5 m-85 -65.22 -52.78 52.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.173 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.726 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 14.0 t80 -43.52 -59.13 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.968 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -43.87 -31.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.994 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.59 -29.5 67.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.024 0.44 . . . . 0.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.758 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 12.7 p -71.69 -53.72 12.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.899 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.758 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -64.85 0.06 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 -179.503 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.823 HG22 ' H ' ' A' ' 34' ' ' SER . 2.0 m -67.94 -150.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.664 -0.414 . . . . 0.0 109.947 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.823 ' H ' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -62.07 171.5 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.272 179.649 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.63 -38.48 58.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -45.98 66.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.476 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.2 m -61.62 -36.28 80.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.399 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -53.68 -52.83 58.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.446 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -49.8 -39.27 37.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.772 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -58.64 6.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.631 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.73 -13.2 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -85.88 -38.51 17.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.327 . . . . 0.0 110.725 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.2 -29.71 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.159 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.75 ' N ' ' SD ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -69.8 -21.74 63.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.148 179.734 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 mt -82.31 -48.3 11.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.433 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -59.17 -56.07 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.475 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.604 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.428 ' HZ1' ' NH2' ' A' ' 11' ' ' ARG . 10.7 tttm . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.907 0.384 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -105.02 -67.61 0.9 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.392 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.12 -11.9 1.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.186 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -84.34 -49.5 8.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.41 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 10' ' ' ARG . 7.3 m -90.22 112.8 24.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.36 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.03 -2.9 0.47 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.434 ' H ' ' C ' ' A' ' 8' ' ' SER . 58.0 mtt85 -92.03 -53.62 4.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.655 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.428 ' NH2' ' HZ1' ' A' ' 4' ' ' LYS . 2.7 mtt-85 -69.32 -13.35 62.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.656 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' A' ' 16' ' ' THR . 47.6 tt0 -76.94 -50.78 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.422 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.71 -37.31 65.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.598 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.16 -24.83 60.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.526 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 11' ' ' ARG . 56.7 m -86.27 -21.72 27.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.285 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -78.3 -53.73 6.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.473 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -47.59 -24.64 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.21 -48.17 18.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.359 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.588 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -78.18 -46.61 20.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.141 179.765 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.427 ' N ' ' HD3' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -45.16 -28.48 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.201 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.9 ttt85 -74.37 -50.09 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.494 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.007 HG21 ' CE2' ' A' ' 27' ' ' TYR . 10.6 t -88.06 -5.1 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.736 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.8 OUTLIER 46.27 47.94 13.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.755 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 26' ' ' ASP . 8.1 m -123.71 104.94 9.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.616 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.23 -15.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.47 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 24' ' ' THR . 3.0 t70 -83.66 -47.74 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.406 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.007 ' CE2' HG21 ' A' ' 22' ' ' VAL . 2.5 m-85 -44.64 -44.11 8.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.36 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -53.83 -53.84 46.81 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -61.13 -20.29 62.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.753 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.88 -13.31 59.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.73 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 43.4 t -86.38 -36.72 19.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.221 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.499 ' O ' ' O ' ' A' ' 33' ' ' THR . 2.6 t -76.51 -14.25 60.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.712 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 1.062 HG22 ' H ' ' A' ' 34' ' ' SER . 5.7 m -52.42 -164.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 1.062 ' H ' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -50.11 -173.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.902 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.478 ' N ' ' OG ' ' A' ' 34' ' ' SER . 15.2 mt-10 -83.49 -29.48 27.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.667 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.6 m -57.97 -65.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.6 m -52.82 -35.6 57.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.455 ' CD2' ' O ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -53.69 -50.41 65.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.902 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -61.69 -30.02 70.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.294 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -71.73 -45.47 61.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.405 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.2 -44.67 16.3 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.369 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.44 ' N ' ' OE1' ' A' ' 42' ' ' GLN . 1.8 mp0 -71.03 -34.13 70.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.108 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 47' ' ' GLN . 92.9 m -64.96 -37.85 89.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.284 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' HIS . 2.0 mtt -68.39 -48.02 65.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.218 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' MET . 11.1 mt -36.3 -33.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.383 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.467 ' O ' ' O ' ' A' ' 47' ' ' GLN . 5.8 t60 -178.67 67.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.385 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' THR . 1.7 tt0 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.6 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.615 ' C ' ' H ' ' A' ' 6' ' ' GLU . 19.1 tttp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.875 0.369 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.438 ' SG ' ' C ' ' A' ' 4' ' ' LYS . 1.3 m 66.18 -30.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.403 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.615 ' H ' ' C ' ' A' ' 4' ' ' LYS . 18.8 mt-10 -58.92 -28.28 66.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.424 . . . . 0.0 110.086 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -34.95 77.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.237 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m -129.72 84.95 2.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.755 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tp -57.15 -15.02 4.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.157 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -72.09 -19.5 61.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.325 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.446 HH11 ' HG3' ' A' ' 11' ' ' ARG . 38.7 mtt85 -98.35 -17.27 18.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.349 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -78.84 -30.17 45.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.1 mt -72.86 -34.01 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.611 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.05 -48.11 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.159 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.712 ' SG ' ' CE2' ' A' ' 38' ' ' PHE . 57.8 m -61.66 -13.14 19.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.305 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.7 m -78.87 -33.1 46.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.721 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -73.26 -24.13 60.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.481 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -41.91 33.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.546 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 1.6 ptm180 -64.45 -41.2 96.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 0.0 110.339 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -58.31 -24.77 60.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.175 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.25 -31.3 64.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.371 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.703 HG21 ' CD2' ' A' ' 27' ' ' TYR . 14.2 t -106.97 -4.67 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.688 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER 45.19 35.09 1.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.689 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 26' ' ' ASP . 95.7 m -135.14 121.26 20.05 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.49 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -53.05 -36.04 60.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.668 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.448 ' H ' HG22 ' A' ' 24' ' ' THR . 5.3 t0 -62.01 -21.76 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.703 ' CD2' HG21 ' A' ' 22' ' ' VAL . 1.2 t80 -86.49 -12.95 47.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.529 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -79.7 -56.97 3.9 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.355 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -57.92 -26.35 62.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.013 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' O ' ' OG1' ' A' ' 33' ' ' THR . 2.4 mm-40 -62.45 -30.02 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.025 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.49 ' C ' ' H ' ' A' ' 33' ' ' THR . 51.6 t -70.31 -55.41 9.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.653 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 2.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.791 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.769 HG22 ' H ' ' A' ' 34' ' ' SER . 1.0 OUTLIER -76.96 -153.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.915 0.388 . . . . 0.0 111.055 -179.758 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.769 ' H ' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -33.15 128.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.3 -34.78 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.363 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.71 -32.61 74.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.44 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.0 m -74.05 -29.19 61.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.302 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.712 ' CE2' ' SG ' ' A' ' 15' ' ' CYS . 1.9 t80 -60.32 -41.49 93.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.283 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -79.25 -22.83 44.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.487 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -65.65 -38.0 88.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.364 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.678 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -66.24 -59.78 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.373 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -39.33 -38.47 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.444 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.1 m -72.05 -35.24 69.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.557 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.6 mtt -102.34 5.18 39.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.168 0.509 . . . . 0.0 109.872 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.678 ' N ' ' O ' ' A' ' 41' ' ' CYS . 5.1 tp -115.13 -47.07 2.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.296 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.557 ' O ' ' O ' ' A' ' 47' ' ' GLN . 9.2 t-80 -80.67 -48.1 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.706 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.557 ' O ' ' O ' ' A' ' 46' ' ' HIS . 18.9 mt-30 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.569 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.485 ' C ' ' OD1' ' A' ' 7' ' ' ASP . 3.8 tptm . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.678 0.275 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -109.22 -35.7 6.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -56.34 -27.24 55.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.375 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.485 ' OD1' ' C ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -59.36 -58.83 6.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.17 105.32 17.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.5 mt -45.37 -26.43 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.623 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.38 -45.53 79.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -60.5 -26.73 67.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.516 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -74.89 -37.81 62.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.66 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 mm -66.88 -39.69 84.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.029 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.39 -33.87 67.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.477 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.698 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 65.5 m -75.33 -26.65 58.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.374 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.9 m -71.89 -32.46 67.45 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -71.67 -17.94 62.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.052 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.0 t -79.88 -39.23 30.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.278 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.682 ' O ' ' N ' ' A' ' 23' ' ' ARG . 5.3 ptm180 -74.52 -40.84 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.362 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 25.1 t0 -60.37 -27.87 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.453 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -65.79 -50.6 64.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.314 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.45 HG11 ' CE2' ' A' ' 27' ' ' TYR . 1.8 t -98.13 -5.41 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.314 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.682 ' N ' ' O ' ' A' ' 19' ' ' ARG . 4.5 mtt180 49.97 35.26 9.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.504 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.46 115.12 19.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -48.59 -22.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -74.88 -26.04 59.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.634 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.45 ' CE2' HG11 ' A' ' 22' ' ' VAL . 1.4 m-85 -83.16 -0.83 51.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.674 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -87.59 -49.94 6.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.12 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.93 -21.19 66.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.03 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.82 -20.53 64.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.915 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.693 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 41.2 t -79.8 -59.49 2.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.781 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.582 ' O ' ' O ' ' A' ' 33' ' ' THR . 3.4 t -57.88 -13.79 5.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.829 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.582 ' O ' ' O ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -54.19 -144.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.613 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.17 162.46 28.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -54.87 -43.04 72.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.579 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -48.69 -47.34 40.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.96 -34.97 77.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.698 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -65.11 -45.48 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -65.04 -52.62 54.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.619 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -44.86 -53.54 7.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.509 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.5 t -55.49 -50.24 70.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.465 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -55.2 -24.38 26.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.416 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.83 -42.78 16.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.798 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.53 -10.22 59.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.773 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mt -75.62 -38.55 58.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.869 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.541 ' O ' ' C ' ' A' ' 47' ' ' GLN . 15.1 t-80 -134.1 17.41 3.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.707 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.541 ' C ' ' O ' ' A' ' 46' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.593 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.494 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 16.7 t70 51.05 19.5 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.672 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -92.86 -46.22 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.378 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -153.38 7.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.227 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.6 m -117.71 -62.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.401 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.494 ' HB2' ' H ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -69.95 -30.47 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.263 179.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -55.26 -45.66 76.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.386 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.33 114.92 29.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.406 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.11 -3.7 31.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.682 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.88 -33.97 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.393 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -74.92 -33.3 61.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.355 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 16' ' ' THR . 19.9 tt0 -60.56 -52.6 64.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.58 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 54.3 mt -51.0 -26.23 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.431 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.19 -51.13 6.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.485 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.5 m -72.33 -12.75 61.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 12' ' ' GLU . 2.9 m -78.1 -32.82 50.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.519 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -84.55 -23.47 29.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.517 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.6 m -69.07 -33.97 74.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.736 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.464 ' HG2' ' CE2' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -75.49 -28.82 59.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.548 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 17.9 m-20 -84.43 -17.07 40.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.44 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -52.09 27.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.444 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.597 HG21 ' CZ ' ' A' ' 27' ' ' TYR . 39.6 t -95.86 -1.33 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.493 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 51.64 36.01 16.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.524 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.704 HG22 ' H ' ' A' ' 26' ' ' ASP . 27.7 m -129.32 119.88 24.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.563 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.68 -16.07 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.734 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.704 ' H ' HG22 ' A' ' 24' ' ' THR . 0.5 OUTLIER -78.16 -21.6 49.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.584 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.597 ' CZ ' HG21 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -76.93 -28.7 55.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.384 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.464 ' CE2' ' HG2' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -62.54 -64.72 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.599 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.448 ' O ' ' OG1' ' A' ' 33' ' ' THR . 47.3 t80 -55.31 -31.82 61.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.751 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.91 -11.44 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.722 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 41.2 t -92.56 -30.31 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.797 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.55 3.68 39.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.863 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -129.01 176.59 7.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.797 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.459 ' O ' ' O ' ' A' ' 33' ' ' THR . 11.7 t 51.19 170.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.83 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -109.05 -40.17 5.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.562 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -53.28 57.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.9 m -57.05 -28.58 62.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.345 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.58 -43.58 66.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.606 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -30.34 54.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.674 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -72.28 -24.86 61.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -59.94 4.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.56 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.16 -54.48 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.682 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -53.77 -28.54 35.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.584 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -20.9 45.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.5 mt -84.19 -41.11 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.456 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.505 ' O ' ' O ' ' A' ' 47' ' ' GLN . 33.6 t-80 -91.14 -29.82 17.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.505 ' O ' ' O ' ' A' ' 46' ' ' HIS . 3.0 pt20 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.589 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.579 ' H ' ' HB3' ' A' ' 6' ' ' GLU . 0.2 OUTLIER 32.47 36.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.681 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 1' ' ' ALA . 26.3 t70 -76.81 -55.0 5.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.471 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.615 ' HZ2' ' NH2' ' A' ' 11' ' ' ARG . 24.2 tttp -156.75 8.63 0.2 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.263 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.8 -57.74 0.87 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.668 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.579 ' HB3' ' H ' ' A' ' 2' ' ' ASP . 4.2 tt0 -67.28 -0.77 3.76 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.907 0.384 . . . . 0.0 110.26 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.607 ' OD1' ' N ' ' A' ' 8' ' ' SER . 32.6 p-10 -89.52 -41.15 12.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.393 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.607 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 48.4 m -100.23 131.72 46.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.515 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.18 -0.25 51.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.603 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.409 ' HG2' ' NH1' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -100.9 -27.08 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.386 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.615 ' NH2' ' HZ2' ' A' ' 4' ' ' LYS . 9.0 mtm180 -96.92 -12.22 23.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.159 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 16' ' ' THR . 8.3 tt0 -82.64 -49.73 9.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.387 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.8 mt -62.35 -23.39 32.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.132 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.98 -16.29 30.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.541 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.686 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 56.4 m -110.84 -9.85 14.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.487 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 12' ' ' GLU . 43.5 m -88.54 -29.57 19.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.418 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -82.18 -20.5 37.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.468 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.85 -48.19 66.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.699 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.662 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -75.95 -45.92 32.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.365 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 41.1 t0 -44.62 -32.24 1.4 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.329 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -77.25 -48.48 17.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.241 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.569 HG21 ' CD2' ' A' ' 27' ' ' TYR . 3.3 t -82.52 -5.81 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.3 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.662 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER 39.28 48.51 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.732 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.505 ' OG1' ' O ' ' A' ' 22' ' ' VAL . 1.4 m -140.55 112.11 7.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.619 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -46.16 -30.12 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.628 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -66.05 -25.2 66.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.993 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.569 ' CD2' HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -79.45 -44.19 21.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.65 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 16' ' ' THR . 0.6 OUTLIER -50.13 -51.66 41.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.76 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -67.27 -17.19 64.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.666 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -77.66 -12.4 59.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.687 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.52 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 43.2 t -88.89 -45.33 9.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.655 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.64 -0.63 21.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.963 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -69.97 -164.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.6 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -36.98 142.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.615 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -52.76 -45.19 66.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.437 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.8 p -46.49 -51.7 14.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.378 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.5 m -65.29 -31.43 72.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.293 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.686 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 2.0 t80 -62.91 -54.63 35.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.528 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -59.28 -17.17 26.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.744 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -81.74 -36.11 28.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.666 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -22.06 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.531 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -91.37 -26.01 19.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.48 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.4 m -76.05 -28.45 57.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.695 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.0 mtt -79.24 -46.96 16.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 45' ' ' LEU . 23.4 mt -51.67 -34.46 38.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.771 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -101.19 -63.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.711 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.553 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.578 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.1 OUTLIER 47.87 41.8 15.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.65 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.499 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -69.9 49.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.946 0.403 . . . . 0.0 110.155 179.751 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.457 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 23.9 tttt 71.38 -0.3 3.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.484 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -111.87 -62.25 1.59 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.651 179.69 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -64.33 -15.41 60.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.664 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -66.82 -28.41 68.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.627 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.4 p -150.48 115.45 5.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.733 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.48 -7.82 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -25.15 61.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.238 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 mtm-85 -98.42 -31.37 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.319 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.555 ' O ' ' OG1' ' A' ' 16' ' ' THR . 3.1 tp10 -65.51 -28.36 69.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.551 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.7 mt -86.61 -30.09 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.609 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.9 -21.43 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.982 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 67.1 m -88.48 -3.45 58.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.824 0.345 . . . . 0.0 110.645 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.555 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 2.8 m -87.86 -53.99 4.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.278 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.39 -35.04 37.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.183 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -55.95 17.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.748 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -69.03 -41.55 77.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -51.2 -26.36 6.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.26 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -59.22 2.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.296 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.562 HG21 ' CE2' ' A' ' 27' ' ' TYR . 3.1 t -78.0 -5.43 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.5 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.7 mtt-85 46.87 38.08 5.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.747 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -126.24 108.67 11.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.495 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.662 ' OD1' ' N ' ' A' ' 26' ' ' ASP . 17.8 p30 -46.65 -23.69 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.562 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.662 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 27.1 t70 -67.86 -27.51 66.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.562 ' CE2' HG21 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -69.38 -52.98 21.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.562 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -42.68 -54.26 4.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.277 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -56.29 -30.51 62.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.959 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -69.87 -23.9 63.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.12 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.7 t -82.92 -45.4 14.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.518 ' O ' ' O ' ' A' ' 33' ' ' THR . 2.3 t -71.14 -8.98 57.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.721 HG22 ' H ' ' A' ' 34' ' ' SER . 1.7 m -56.64 -146.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.375 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.721 ' H ' HG22 ' A' ' 33' ' ' THR . 0.3 OUTLIER -73.26 170.16 15.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.685 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -63.63 -49.51 72.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.92 -40.84 6.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.646 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.85 -29.63 50.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.714 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -55.13 -42.58 73.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.58 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -71.85 -37.98 70.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.484 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -50.57 -51.43 48.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.333 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.28 -47.92 65.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.311 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -57.61 -35.9 71.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.217 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.7 m -59.65 -31.0 69.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.531 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.7 ttt -79.63 -30.22 41.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.728 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.1 mt -73.55 -23.02 59.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.507 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' A' ' 47' ' ' GLN . 61.3 t-80 -107.6 -43.98 4.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.445 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.558 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.9 OUTLIER 30.93 38.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.565 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 1' ' ' ALA . 1.6 t70 -71.65 -35.56 70.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.543 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.56 -39.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.576 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 30.8 m -97.54 -44.11 6.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.396 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.463 ' CB ' ' H ' ' A' ' 2' ' ' ASP . 13.7 mt-10 -59.59 -17.66 34.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.48 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -78.89 -33.16 45.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.629 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.77 110.33 11.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.485 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.61 -34.8 69.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.644 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -36.15 82.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.022 0.439 . . . . 0.0 110.083 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -68.95 -25.52 64.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.299 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 15' ' ' CYS . 3.4 tt0 -70.67 -60.73 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.3 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.8 mt -42.57 -26.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.268 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 12' ' ' GLU . . . -74.99 -40.72 60.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.174 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.507 ' N ' ' O ' ' A' ' 12' ' ' GLU . 98.3 m -73.9 -24.38 59.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.389 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.7 m -74.73 -24.93 58.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.353 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -83.87 -22.45 31.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.476 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 m -74.23 -47.61 34.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.288 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.622 ' O ' ' N ' ' A' ' 23' ' ' ARG . 1.8 ptm180 -54.35 -35.82 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.154 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.442 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 6.9 t70 -66.17 -33.06 74.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.481 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.678 ' NE ' ' SD ' ' A' ' 44' ' ' MET . 26.5 ttm105 -60.72 -28.15 68.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.594 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.548 HG11 ' CD2' ' A' ' 27' ' ' TYR . 1.5 t -118.72 -14.89 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.622 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.8 mtp180 57.45 46.11 18.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.817 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 m -146.19 121.97 10.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.766 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -51.15 -33.64 27.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.364 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.53 -15.88 59.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.51 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.548 ' CD2' HG11 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -100.6 4.3 43.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.809 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -93.54 -42.49 9.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 109.924 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -70.23 -22.56 62.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.918 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.06 -25.49 66.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.269 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.6 t -76.46 -46.29 27.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.385 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -3.5 3.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.456 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.488 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -145.87 -150.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.738 -179.848 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 33' ' ' THR . 41.8 t 32.2 93.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.726 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 36' ' ' SER . 13.2 pt-20 -62.53 -34.55 77.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.195 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -55.89 -60.44 3.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.336 179.792 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.6 m -63.18 -35.66 81.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.406 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -55.11 -55.71 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.414 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -48.43 -47.3 38.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.62 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -60.51 -52.18 66.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.556 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -40.88 13.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.508 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -72.48 -51.33 20.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.366 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 47' ' ' GLN . 2.8 m -48.48 -34.9 11.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.393 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.678 ' SD ' ' NE ' ' A' ' 21' ' ' ARG . 7.7 ttm -76.97 -45.56 27.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.41 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 45' ' ' LEU . 15.2 mt -55.86 -12.45 1.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.544 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -121.6 -34.65 3.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.569 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.117 -0.945 . . . . 0.0 110.483 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.66 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.443 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 36.57 21.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.585 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.666 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 0.9 OUTLIER -72.83 66.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.586 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.575 ' C ' ' SG ' ' A' ' 32' ' ' CYS . 7.5 mmmt 55.93 2.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.494 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.574 ' O ' ' N ' ' A' ' 7' ' ' ASP . 13.2 m -111.34 -85.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 5' ' ' CYS . 1.5 tt0 -36.82 -26.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.593 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.574 ' N ' ' O ' ' A' ' 5' ' ' CYS . 1.4 m-20 -58.59 -9.47 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.579 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.588 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.2 p -159.14 86.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.566 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.407 HD23 ' OE1' ' A' ' 12' ' ' GLU . 6.1 mt -42.54 -15.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.624 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 8' ' ' SER . 0.7 OUTLIER -78.11 -47.32 18.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.75 -179.734 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -66.93 -17.05 64.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.747 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.407 ' OE1' HD23 ' A' ' 9' ' ' LEU . 20.9 tt0 -72.75 -43.93 62.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.745 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.1 mt -54.79 -55.09 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.85 93.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.722 ' SG ' ' CE2' ' A' ' 28' ' ' PHE . 35.5 t -64.19 -46.49 83.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.698 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.9 m -57.71 -48.25 80.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.308 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -58.02 -23.41 54.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.487 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -77.04 -52.47 9.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.555 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.58 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -72.46 -45.75 58.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.625 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.419 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 3.0 t70 -54.24 -15.09 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.925 0.393 . . . . 0.0 110.148 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -91.55 -29.0 17.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.124 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.78 HG21 ' CE2' ' A' ' 27' ' ' TYR . 2.3 t -105.4 -8.26 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.306 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.58 ' N ' ' O ' ' A' ' 19' ' ' ARG . 13.5 mtm180 48.64 39.7 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.711 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.571 ' C ' ' H ' ' A' ' 26' ' ' ASP . 0.5 OUTLIER -120.54 117.58 27.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.599 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.65 2.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.363 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.571 ' H ' ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -101.75 -39.81 7.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.818 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.78 ' CE2' HG21 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -50.21 -52.97 31.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.568 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.722 ' CE2' ' SG ' ' A' ' 15' ' ' CYS . 16.2 t80 -51.37 -61.05 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.537 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.447 ' O ' ' OG1' ' A' ' 33' ' ' THR . 19.9 t80 -46.8 -35.75 6.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.902 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -70.61 -21.65 62.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.533 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.742 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 3.2 p -75.8 -49.81 17.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.79 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.742 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -72.15 -0.58 12.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.866 -179.514 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.657 HG22 ' H ' ' A' ' 34' ' ' SER . 1.6 m -75.48 -144.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.358 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.657 ' H ' HG22 ' A' ' 33' ' ' THR . 0.5 OUTLIER -50.49 162.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.554 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.89 -38.21 76.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.502 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -51.52 57.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.438 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.74 -49.14 66.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.271 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -56.67 16.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.502 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -43.07 -31.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.692 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 43' ' ' THR . 0.1 OUTLIER -68.75 -49.3 59.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.519 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.9 t -39.18 -36.73 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.392 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.51 -43.3 60.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.47 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 40' ' ' LYS . 95.9 m -52.69 -38.72 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.516 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.2 ttt -71.25 -45.24 63.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.613 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mt -46.82 -52.29 14.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.555 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -179.1 65.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.566 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.429 ' OXT' ' CD ' ' A' ' 47' ' ' GLN . 6.0 tm0? . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.595 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 1' ' ' ALA . 7.6 p-10 33.85 35.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.634 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.611 ' C ' ' H ' ' A' ' 5' ' ' CYS . 15.7 p-10 -77.22 67.04 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.482 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.6 mttt 59.94 -7.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.725 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.611 ' H ' ' C ' ' A' ' 3' ' ' ASP . 83.2 m -107.55 -70.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.91 -10.27 27.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.355 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -67.66 -40.42 84.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.637 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 p -130.98 106.14 8.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.617 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 9' ' ' LEU . 14.7 tp -58.95 -15.27 12.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.385 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -83.08 -43.36 16.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.647 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -24.46 53.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.469 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 15' ' ' CYS . 32.0 tt0 -69.23 -58.61 3.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.614 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.9 mt -46.84 -31.92 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.488 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.57 -33.97 67.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.324 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.522 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 56.5 m -75.92 -17.35 59.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.376 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.0 m -79.08 -47.96 15.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.43 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -54.9 -20.79 9.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.465 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 t -78.07 -53.39 7.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.037 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.628 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -66.56 -33.64 76.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.677 -179.682 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -68.63 -34.16 75.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.371 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.05 -19.81 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.263 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.539 ' O ' ' C ' ' A' ' 23' ' ' ARG . 2.9 t -119.75 -5.24 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.52 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' A' ' 19' ' ' ARG . 43.2 mtp85 28.49 56.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.642 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.628 ' C ' ' H ' ' A' ' 26' ' ' ASP . 1.0 OUTLIER -110.18 -10.76 14.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.515 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.0 t0 68.21 -25.13 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.19 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.628 ' H ' ' C ' ' A' ' 24' ' ' THR . 2.7 m-20 -88.11 -34.26 17.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.296 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.418 ' O ' ' CB ' ' A' ' 30' ' ' GLU . 1.8 m-85 -53.91 -47.61 70.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.274 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -52.13 -62.97 1.3 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.341 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -50.95 -17.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.236 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' A' ' 27' ' ' TYR . 14.5 tt0 -75.99 -24.64 55.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.38 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -43.13 30.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.292 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.566 ' SG ' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -66.94 -3.41 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.472 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.751 HG22 ' H ' ' A' ' 34' ' ' SER . 1.1 m -73.88 -152.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.608 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.751 ' H ' HG22 ' A' ' 33' ' ' THR . 31.3 t -66.97 169.47 8.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.434 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -63.81 -37.69 88.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 p -50.01 -56.5 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.973 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -30.01 70.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.053 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.522 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -53.81 -40.23 66.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.05 -179.672 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.533 ' O ' ' OG1' ' A' ' 43' ' ' THR . 1.5 mtpm? -74.12 -41.6 61.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.312 . . . . 0.0 110.99 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -46.53 -43.38 16.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -55.45 14.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.858 -179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -23.25 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.665 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.533 ' OG1' ' O ' ' A' ' 39' ' ' LYS . 1.7 m -74.6 -43.05 57.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.477 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.546 ' O ' ' O ' ' A' ' 47' ' ' GLN . 1.1 mtp -67.84 -33.64 75.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.386 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.4 -57.37 11.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.493 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -64.74 -29.21 70.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.493 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.546 ' O ' ' O ' ' A' ' 44' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.518 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.557 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.3 OUTLIER 36.36 56.67 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.706 179.731 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -90.38 -44.67 9.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.33 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.452 ' HD2' HH21 ' A' ' 11' ' ' ARG . 2.6 mmmp? -163.25 -25.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.759 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 90.9 m -113.38 -38.22 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.727 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.576 ' OE1' ' N ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -74.53 -14.25 60.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -65.49 -42.4 92.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.675 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -123.36 106.0 10.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.752 -179.835 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.9 mt -42.59 -20.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.572 ' C ' ' H ' ' A' ' 12' ' ' GLU . 16.5 ttm-85 -78.09 -52.78 8.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.494 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.452 HH21 ' HD2' ' A' ' 4' ' ' LYS . 14.5 mmm-85 -62.96 7.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.487 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.572 ' H ' ' C ' ' A' ' 10' ' ' ARG . 25.4 tt0 -100.56 -51.75 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.769 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mt -52.47 -42.12 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.36 -23.5 67.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.5 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.789 ' SG ' ' CE1' ' A' ' 28' ' ' PHE . 13.1 t -83.81 -28.01 28.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.548 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 m -72.13 -51.86 19.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.461 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -48.12 -23.04 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.713 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.4 -56.05 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.538 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.565 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.7 OUTLIER -73.42 -37.33 65.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.583 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -58.88 -20.27 49.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.751 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 ttt-85 -83.74 -50.26 8.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.374 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.661 HG21 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -86.57 -7.57 10.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.38 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' A' ' 19' ' ' ARG . 3.1 mtt-85 49.76 44.64 24.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.683 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 26' ' ' ASP . 0.6 OUTLIER -134.32 113.37 11.86 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.75 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -51.27 -12.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.375 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.452 ' N ' ' C ' ' A' ' 24' ' ' THR . 4.6 m-20 -80.09 -22.81 41.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.747 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.661 ' CE2' HG21 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -76.82 -49.36 15.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.553 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.789 ' CE1' ' SG ' ' A' ' 15' ' ' CYS . 6.6 t80 -44.73 -53.1 7.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.685 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -55.5 -34.81 64.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.031 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' O ' ' OG1' ' A' ' 33' ' ' THR . 0.1 OUTLIER -67.84 -9.61 45.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.599 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.771 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.8 p -85.91 -52.0 6.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.24 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.771 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -77.92 -3.73 43.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.884 -179.452 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -61.25 -169.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.198 179.63 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 p -46.14 166.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.348 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 38' ' ' PHE . 6.6 mp0 -61.02 -58.15 9.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.588 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -38.31 -41.1 0.59 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.598 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.37 -37.02 71.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.712 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -54.92 -56.5 18.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.38 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -54.53 -30.27 53.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.289 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -61.22 -34.34 74.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.628 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -42.76 67.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.64 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.651 ' HA ' HD12 ' A' ' 45' ' ' LEU . 26.5 tt0 -58.14 -33.18 68.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.52 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.33 -33.72 76.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.419 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 ttt -83.01 -12.17 57.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.393 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 42' ' ' GLN . 68.7 mt -79.93 -16.65 54.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.591 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -114.83 -62.57 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.51 179.902 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.629 ' C ' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 40.04 55.6 2.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.499 . . . . 0.0 110.429 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.618 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 7.4 m-20 -58.84 4.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.154 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.629 ' H ' ' C ' ' A' ' 2' ' ' ASP . 9.9 tttt 91.94 98.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.465 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.506 ' SG ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 55.24 0.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.394 -179.671 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.585 ' H ' ' C ' ' A' ' 4' ' ' LYS . 33.5 mt-10 -104.12 -24.3 13.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.361 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -137.99 25.56 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.487 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.9 p -119.19 126.41 51.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.646 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.55 ' C ' ' H ' ' A' ' 11' ' ' ARG . 5.2 mt -96.79 -61.84 1.35 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.591 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -52.84 -4.81 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.648 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.55 ' H ' ' C ' ' A' ' 9' ' ' LEU . 11.2 ttt85 -111.81 -28.79 7.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.747 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -76.97 -26.72 54.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.3 mt -78.24 -26.84 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.633 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.4 -25.78 19.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.821 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 90.3 m -86.6 -23.16 25.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.708 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.8 m -79.86 -23.32 42.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.59 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -81.93 -16.04 51.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.513 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.2 -40.66 12.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' ARG . 26.7 ptt180 -70.13 -35.48 74.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.708 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.402 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 36.7 t70 -64.36 -26.08 68.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.392 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -65.43 -50.44 65.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.368 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.811 HG21 ' CD2' ' A' ' 27' ' ' TYR . 1.9 t -97.52 -4.28 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.431 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' ARG . 76.8 mtm-85 50.31 29.27 3.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.573 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 26' ' ' ASP . 7.2 m -119.36 122.85 42.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.28 -31.28 61.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.431 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.415 ' H ' HG22 ' A' ' 24' ' ' THR . 0.4 OUTLIER -65.49 -20.61 66.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.426 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.811 ' CD2' HG21 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -89.4 -4.41 58.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.356 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -87.75 -57.2 3.03 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.29 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -51.23 -35.92 39.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.427 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.541 ' O ' ' OG1' ' A' ' 33' ' ' THR . 4.2 mm-40 -52.79 -36.77 58.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.484 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.477 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 40.8 t -70.12 -46.44 64.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.784 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.466 ' HA ' ' HE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -70.97 7.3 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.797 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.541 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -82.99 -159.53 0.34 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.588 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.534 ' O ' ' O ' ' A' ' 33' ' ' THR . 0.3 OUTLIER -46.17 -178.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.56 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -87.47 -11.97 47.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.449 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -77.07 -63.02 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.396 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.97 -16.95 2.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.265 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.477 ' CD2' ' O ' ' A' ' 31' ' ' CYS . 1.2 t80 -63.61 -47.48 81.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.251 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.601 ' O ' ' N ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -63.66 -57.45 10.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.186 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' LYS . 8.0 tttp -39.73 -21.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.955 0.407 . . . . 0.0 110.063 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.601 ' N ' ' O ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -94.47 -51.0 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.27 179.83 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -63.6 -32.68 74.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.388 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.4 m -65.31 -24.2 67.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.513 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.8 mtp -88.17 -14.46 38.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.608 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 45' ' ' LEU . 6.3 mt -76.48 -36.58 57.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.571 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.414 ' O ' ' CG ' ' A' ' 46' ' ' HIS . 0.6 OUTLIER -167.59 55.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.612 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.54 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.587 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.524 ' O ' ' C ' ' A' ' 3' ' ' ASP . 1.9 m-20 31.3 33.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.566 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' A' ' 1' ' ' ALA . 0.6 OUTLIER -28.88 -69.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.491 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.601 ' C ' ' H ' ' A' ' 6' ' ' GLU . 1.7 tppp? -177.72 97.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.5 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.465 ' SG ' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 49.94 4.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.56 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.601 ' H ' ' C ' ' A' ' 4' ' ' LYS . 3.0 tt0 -111.55 -23.14 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.314 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -122.98 -25.47 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.718 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.547 ' C ' ' H ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -67.32 83.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.986 0.422 . . . . 0.0 110.357 179.781 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 mp -59.72 4.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.031 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.547 ' H ' ' C ' ' A' ' 8' ' ' SER . 28.6 mtp85 -108.0 -22.99 12.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.773 0.321 . . . . 0.0 110.831 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 mtm-85 -110.41 -7.42 14.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.034 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.439 ' O ' ' OG1' ' A' ' 16' ' ' THR . 8.3 tm-20 -89.01 -26.08 21.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.311 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.2 mt -80.09 -30.94 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.32 -51.43 6.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.672 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.0 m -59.8 -15.01 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.842 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 16.9 m -77.71 -33.89 52.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.264 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -79.2 -23.62 43.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.646 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.531 ' SG ' HD11 ' A' ' 45' ' ' LEU . 2.1 m -74.87 -55.56 5.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.48 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 3.8 ptt-85 -56.23 -39.49 72.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.664 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.48 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -60.48 -31.48 70.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -69.42 -47.12 65.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.56 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.603 HG21 ' CD1' ' A' ' 27' ' ' TYR . 16.6 t -81.66 -26.47 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.525 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' ARG . 30.6 mtp180 64.06 40.6 6.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.619 HG22 ' H ' ' A' ' 26' ' ' ASP . 18.1 m -141.9 117.73 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.557 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.97 -23.56 19.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.59 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.619 ' H ' HG22 ' A' ' 24' ' ' THR . 1.1 t70 -79.41 -10.39 59.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.516 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.603 ' CD1' HG21 ' A' ' 22' ' ' VAL . 21.8 t80 -95.11 -18.24 21.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.59 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.11 -48.97 61.14 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.389 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -58.23 -32.12 68.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.96 0.41 . . . . 0.0 109.933 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.521 ' O ' ' OG1' ' A' ' 33' ' ' THR . 1.3 tt0 -61.84 -24.65 67.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.332 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.502 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 39.3 t -75.51 -36.85 60.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.429 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.39 2.42 28.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.029 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.521 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -69.42 -153.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 0.0 110.848 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 t -51.96 166.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 -73.45 -37.31 65.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.577 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.53 -34.93 62.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.428 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -25.24 27.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.367 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 31' ' ' CYS . 2.4 t80 -68.46 -48.88 63.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.575 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -57.83 -45.12 86.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.77 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -54.27 -43.47 71.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.657 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -58.84 -27.51 65.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.572 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -82.1 -25.59 34.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -71.3 -32.66 68.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.339 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 24.3 mtp -82.67 -20.5 36.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.314 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.531 HD11 ' SG ' ' A' ' 18' ' ' CYS . 80.7 mt -85.65 -17.66 35.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.483 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -99.45 -40.34 7.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.557 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.6 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 4' ' ' LYS . 9.2 m-20 42.16 30.38 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.67 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.581 ' C ' ' H ' ' A' ' 5' ' ' CYS . 0.3 OUTLIER -68.87 56.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER 68.16 -20.59 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.434 -179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.581 ' H ' ' C ' ' A' ' 3' ' ' ASP . 23.2 m -94.71 -79.22 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.339 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -44.13 -27.76 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.367 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -62.12 -62.3 1.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.637 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -92.38 106.91 18.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.691 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.99 0.88 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.241 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.499 ' H ' ' C ' ' A' ' 8' ' ' SER . 8.7 ttm105 -99.03 -32.53 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.627 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.31 -8.95 58.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.542 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -84.63 -38.33 19.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.765 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.453 ' N ' HD13 ' A' ' 13' ' ' ILE . 5.0 mm -65.08 -33.46 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.649 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.61 -45.07 39.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.306 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 85.4 m -66.51 -21.54 66.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.44 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.8 m -80.27 -49.32 11.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.931 0.396 . . . . 0.0 110.223 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -56.47 -20.41 19.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.292 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.29 -58.91 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.624 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.669 ' O ' ' N ' ' A' ' 23' ' ' ARG . 22.0 ptt180 -56.18 -36.95 68.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 13.8 t70 -56.1 -36.3 68.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.545 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.8 ttt85 -60.86 -47.73 85.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.489 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.497 HG21 ' CD2' ' A' ' 27' ' ' TYR . 0.8 OUTLIER -95.59 -8.38 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.425 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.669 ' N ' ' O ' ' A' ' 19' ' ' ARG . 52.7 mtt85 48.75 34.6 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.785 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.605 ' C ' ' H ' ' A' ' 26' ' ' ASP . 1.3 m -117.83 121.67 41.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.512 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.09 0.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.51 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.605 ' H ' ' C ' ' A' ' 24' ' ' THR . 15.3 t0 -96.94 -45.36 6.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.573 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.497 ' CD2' HG21 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -61.06 -13.31 16.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.497 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -74.43 -63.68 1.19 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.849 0.356 . . . . 0.0 110.145 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -44.89 48.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.119 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.556 ' HB3' HG21 ' A' ' 37' ' ' THR . 3.2 tt0 -43.48 -27.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.346 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.5 t -81.06 -50.44 9.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.506 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' A' ' 3' ' ' ASP . 0.5 OUTLIER -58.33 -6.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.836 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.58 -173.09 4.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.949 0.404 . . . . 0.0 110.915 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t 50.49 96.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.618 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 36' ' ' SER . 21.1 pt-20 -53.51 -39.12 64.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.525 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.435 ' N ' ' CG ' ' A' ' 35' ' ' GLU . 34.1 t -54.78 -39.43 68.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.491 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.556 HG21 ' HB3' ' A' ' 30' ' ' GLU . 63.6 m -74.86 -41.43 59.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.403 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.97 -30.27 24.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.376 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.71 -37.07 12.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.394 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.41 -23.51 67.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.543 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 48.4 t -68.37 -62.37 1.42 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.729 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.667 ' NE2' ' O ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -49.94 -28.02 6.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.74 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.2 m -82.83 -35.64 26.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.719 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -72.18 -7.61 50.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.558 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 45' ' ' LEU . 27.1 mt -90.73 -45.15 9.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.476 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -73.42 -26.9 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.532 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.53 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 54.89 41.06 32.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.749 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.51 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 23.5 t0 -72.98 56.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.138 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 63.79 0.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.212 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.51 ' SG ' ' O ' ' A' ' 3' ' ' ASP . 4.3 m -103.47 -80.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.662 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -47.37 -21.84 0.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.434 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -64.91 -36.7 85.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.425 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.7 p -123.15 119.06 29.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.452 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.4 mm? -65.19 -57.32 8.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.732 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -38.51 -46.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.628 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.639 ' NH1' ' CE2' ' A' ' 38' ' ' PHE . 8.4 ttm-85 -59.48 -43.32 93.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -61.64 -34.95 76.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.478 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -69.21 -27.83 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.74 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.93 -41.01 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.621 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.5 m -73.12 -15.32 61.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.5 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 m -74.32 -30.93 62.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.22 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -80.29 -23.39 40.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.458 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.93 -32.3 67.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.759 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.506 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 0.4 OUTLIER -84.4 -42.75 15.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.582 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 5.7 m-20 -65.96 -16.33 63.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.33 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.443 ' NH2' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -74.14 -44.88 52.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.425 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.17 -11.65 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.665 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 19' ' ' ARG . 7.2 mtp-105 58.99 47.25 12.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.637 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.768 HG22 ' H ' ' A' ' 26' ' ' ASP . 2.6 m -137.18 117.21 13.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.5 -13.77 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.7 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.768 ' H ' HG22 ' A' ' 24' ' ' THR . 1.1 t0 -85.47 -26.77 26.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.684 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -78.91 -7.51 58.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.779 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -80.78 -62.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.273 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -54.15 -28.38 39.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 0.0 110.026 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.48 -30.69 68.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.393 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.426 ' SG ' ' CE2' ' A' ' 38' ' ' PHE . 51.5 t -74.59 -39.32 62.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.638 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 33' ' ' THR . 1.3 m -71.65 -11.25 60.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.791 HG22 ' H ' ' A' ' 34' ' ' SER . 1.6 m -59.27 -151.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.63 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.791 ' H ' HG22 ' A' ' 33' ' ' THR . 0.8 OUTLIER -76.47 -173.46 2.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.808 -179.812 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.657 ' N ' ' OG ' ' A' ' 34' ' ' SER . 24.9 mt-10 -75.13 -34.98 61.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.715 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.3 m -50.45 -44.7 55.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.74 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.09 -31.83 50.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.655 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CE2' ' NH1' ' A' ' 11' ' ' ARG . 1.6 t80 -61.03 -33.86 73.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.672 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -67.23 -42.98 83.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.638 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -56.97 -41.78 78.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.552 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -43.52 91.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -54.09 -29.73 45.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.518 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.1 m -77.73 -28.98 50.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.436 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.443 ' O ' ' NH2' ' A' ' 21' ' ' ARG . 3.6 mmt -82.22 -46.0 14.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.514 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 45' ' ' LEU . 94.7 mt -50.74 -34.24 26.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.645 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -107.12 -73.07 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.63 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.579 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.654 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.553 ' C ' ' O ' ' A' ' 1' ' ' ALA . 4.2 m-20 25.4 38.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.824 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.654 ' N ' ' O ' ' A' ' 1' ' ' ALA . 6.7 m-20 -78.38 -50.06 12.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.575 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -157.36 -12.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.411 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.3 m -113.12 -57.17 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.357 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.539 ' HB2' ' H ' ' A' ' 2' ' ' ASP . 84.6 mt-10 -67.19 -4.31 10.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.143 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -91.8 -52.24 4.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.238 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.73 122.58 46.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.379 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.27 -49.85 57.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.771 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' HG2' ' NH1' ' A' ' 10' ' ' ARG . 14.7 mtp85 -47.69 -25.46 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -75.92 -39.23 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.543 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 16' ' ' THR . 1.6 tt0 -62.83 -55.96 21.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.532 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -49.07 -30.19 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.342 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.49 -35.61 24.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.537 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.1 m -83.78 -17.27 41.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.45 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 12' ' ' GLU . 22.3 m -79.73 -22.95 42.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.49 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -93.64 -21.99 19.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.49 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.82 -43.24 47.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.648 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.542 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -72.31 -34.59 68.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.665 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.434 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 13.6 t0 -58.11 -29.54 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.528 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -70.64 -55.34 8.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.545 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 t -82.17 -9.26 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.537 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.0 mtp180 49.79 43.19 24.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -138.54 107.77 6.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.535 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -43.92 -39.68 4.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.238 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -53.23 -29.39 32.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.148 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -72.02 -38.78 69.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.409 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -49.68 -60.02 3.27 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.565 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -48.73 -37.53 19.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.492 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.08 -25.49 63.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.399 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.1 t -84.35 -20.18 32.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.419 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.9 -5.2 59.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.371 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.568 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER -151.25 -148.3 0.26 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.686 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.568 ' O ' ' O ' ' A' ' 33' ' ' THR . 4.3 t 42.1 103.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.563 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -3.53 2.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.346 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 34' ' ' SER . 1.4 m -88.43 -60.16 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.466 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.7 m -65.99 -14.93 62.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.578 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -80.56 -42.27 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.705 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -84.64 -15.82 44.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.769 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -46.43 8.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.686 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 42.8 t -65.82 -26.5 67.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.542 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -67.74 -31.44 71.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.041 -179.675 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -79.98 -32.82 39.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.8 mtp -75.13 -8.52 56.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.742 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 42' ' ' GLN . 5.0 mt -81.53 -48.76 11.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.662 ' O ' ' ND1' ' A' ' 46' ' ' HIS . 23.3 p80 -163.03 74.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.525 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.532 ' C ' ' O ' ' A' ' 46' ' ' HIS . 4.0 mt-30 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.52 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 20.2 p-10 -168.31 -55.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.772 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.545 ' C ' ' H ' ' A' ' 5' ' ' CYS . 0.3 OUTLIER 37.09 31.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.998 0.427 . . . . 0.0 110.139 -179.786 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 2' ' ' ASP . 8.6 tttt 72.17 -30.66 0.21 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.413 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.545 ' H ' ' C ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -91.92 -70.54 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.73 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -44.99 -16.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 5' ' ' CYS . 4.5 t70 -66.75 -35.38 79.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.477 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.512 ' C ' ' H ' ' A' ' 10' ' ' ARG . 26.0 m -125.94 105.19 8.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.366 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.2 -5.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.563 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.512 ' H ' ' C ' ' A' ' 8' ' ' SER . 3.0 mmt180 -94.01 -19.69 20.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.798 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.04 -24.26 16.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.771 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.496 ' O ' ' OG1' ' A' ' 16' ' ' THR . 3.0 tm-20 -71.31 -41.32 70.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.448 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mm -62.4 -28.41 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.752 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.74 -23.58 45.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.031 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.633 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 84.6 m -94.31 -17.28 22.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.711 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.496 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 1.2 m -77.92 -33.45 51.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.54 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -76.48 -27.27 56.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.474 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.4 m -67.08 -46.47 74.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.446 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.613 ' O ' ' N ' ' A' ' 23' ' ' ARG . 9.2 ptm180 -71.79 -40.85 68.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.464 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.501 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 70.7 m-20 -57.51 -23.67 51.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.439 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -57.8 4.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.221 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 22' ' ' VAL . 16.4 t -91.51 -2.29 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.237 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.613 ' N ' ' O ' ' A' ' 19' ' ' ARG . 41.0 mtm180 46.36 42.07 10.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.642 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.7 m -131.49 114.8 15.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.431 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.3 -41.29 12.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.485 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -55.68 -15.73 3.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.62 -10.75 26.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.604 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -79.46 -42.22 25.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.323 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -71.44 -27.24 63.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.194 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -62.66 -15.06 50.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.27 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.675 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 40.8 t -94.75 -38.76 10.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.871 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.6 m -78.04 -4.19 45.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.731 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -167.52 0.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.82 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 p -43.45 147.32 0.41 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -53.53 -17.75 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.092 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -72.35 -55.98 6.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.223 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 m -59.11 -25.31 63.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.19 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.675 ' CZ ' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -66.95 -61.08 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.271 179.696 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.36 -19.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.408 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -78.44 -31.22 47.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.698 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.26 -26.97 62.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.934 0.397 . . . . 0.0 110.1 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -74.48 -47.01 35.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.9 m -68.33 -35.09 77.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.485 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.77 -29.14 63.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.607 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -53.34 -45.46 69.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.471 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -178.75 49.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.46 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.515 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.506 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 0.6 OUTLIER 49.62 31.68 4.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.645 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.545 ' CG ' ' N ' ' A' ' 4' ' ' LYS . 14.1 p-10 -61.18 -58.47 8.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.571 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.545 ' N ' ' CG ' ' A' ' 3' ' ' ASP . 29.7 mttt -147.78 -37.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.365 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.442 ' C ' ' N ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -102.39 -48.91 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.374 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.506 ' HB2' ' H ' ' A' ' 2' ' ' ASP . 1.8 mp0 -51.98 -12.23 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.378 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.442 ' N ' ' C ' ' A' ' 5' ' ' CYS . 19.2 t0 -81.88 -29.46 32.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.1 t -135.45 104.21 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.143 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 tp -58.25 -41.38 84.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.778 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -57.26 -11.69 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.78 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -41.94 10.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.584 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' OG1' ' A' ' 16' ' ' THR . 0.6 OUTLIER -65.89 -23.22 66.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -69.48 -37.52 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.541 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.592 ' HB1' HE22 ' A' ' 42' ' ' GLN . . . -78.43 -21.26 49.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.7 m -85.74 -22.0 27.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.605 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 6.7 m -70.74 -33.99 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.019 0.438 . . . . 0.0 110.201 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 3.5 mptp? -77.61 -16.18 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.299 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.26 -38.25 19.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.671 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -74.61 -32.22 62.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.657 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 5.4 t0 -71.49 -22.66 61.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.685 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.476 ' NH1' ' SD ' ' A' ' 44' ' ' MET . 34.0 ttt180 -67.25 -48.74 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.486 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.504 HG21 ' CD2' ' A' ' 27' ' ' TYR . 5.8 t -98.28 -6.67 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.495 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mtm-85 47.13 50.64 13.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.638 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.61 ' C ' ' H ' ' A' ' 26' ' ' ASP . 1.7 m -137.06 121.02 17.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -57.15 2.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.614 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.61 ' H ' ' C ' ' A' ' 24' ' ' THR . 8.0 t0 -101.41 -29.51 11.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.735 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.504 ' CD2' HG21 ' A' ' 22' ' ' VAL . 1.5 m-85 -77.51 -13.38 59.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.648 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -75.3 -49.34 19.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.35 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -64.91 -27.29 68.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.239 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.9 -13.13 62.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.773 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 44.7 t -86.21 -44.71 11.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.991 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.28 -1.7 50.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.144 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.55 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -57.1 -165.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.834 0.35 . . . . 0.0 110.766 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.55 ' O ' ' O ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -47.12 -173.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.939 -179.7 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -75.37 -46.44 33.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -54.57 -60.88 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.599 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -28.08 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.619 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.27 -63.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.478 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 43' ' ' THR . 10.8 mttt -47.66 -40.16 19.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.342 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.22 -52.26 28.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.21 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.09 -48.21 68.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.555 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.592 HE22 ' HB1' ' A' ' 14' ' ' ALA . 3.5 tp60 -61.49 -21.92 64.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.634 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.582 ' O ' ' N ' ' A' ' 47' ' ' GLN . 87.8 m -71.64 -41.57 68.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.39 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.476 ' SD ' ' NH1' ' A' ' 21' ' ' ARG . 3.9 mtt -76.09 -8.89 58.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.605 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -89.95 -27.65 19.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.701 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -127.79 -24.54 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.984 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.582 ' N ' ' O ' ' A' ' 43' ' ' THR . 6.1 tt0 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.647 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 48.73 34.04 4.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.592 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.59 ' C ' ' H ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -78.65 62.04 3.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.477 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 tptt 68.34 -21.4 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.48 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.624 ' O ' ' N ' ' A' ' 7' ' ' ASP . 12.1 m -99.39 -82.88 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.521 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 5' ' ' CYS . 1.0 OUTLIER -36.2 -24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.366 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.624 ' N ' ' O ' ' A' ' 5' ' ' CYS . 8.9 t0 -57.87 -54.62 44.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.609 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.46 ' C ' ' H ' ' A' ' 10' ' ' ARG . 75.7 m -99.14 103.53 15.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.06 -1.92 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.493 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.46 ' H ' ' C ' ' A' ' 8' ' ' SER . 10.3 mtt85 -95.23 -58.33 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.378 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -53.33 -38.71 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.23 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -54.4 -42.29 70.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.276 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.8 mt -64.1 -35.06 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.482 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.94 -14.39 61.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.212 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.4 m -103.82 -16.63 15.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.301 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.6 m -76.86 -28.24 55.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.609 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -92.47 -24.64 18.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.539 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -76.12 -39.26 55.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.487 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 4.1 ptm180 -68.28 -39.79 82.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.506 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.487 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -67.08 -17.6 64.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.332 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -69.8 -42.59 73.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.494 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.448 HG21 ' CG ' ' A' ' 27' ' ' TYR . 24.5 t -97.17 -14.51 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.596 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 64.13 27.91 14.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.501 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.565 HG22 ' H ' ' A' ' 26' ' ' ASP . 57.4 m -130.16 121.01 25.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.518 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.77 -28.65 50.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.756 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.565 ' H ' HG22 ' A' ' 24' ' ' THR . 1.8 t70 -69.22 -14.28 62.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.663 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.448 ' CG ' HG21 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -90.26 -7.08 54.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.572 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.403 ' HB2' ' HE ' ' A' ' 19' ' ' ARG . 50.9 t80 -82.31 -57.51 3.34 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.436 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.81 -32.35 19.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.667 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -62.74 -28.61 70.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.469 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.474 ' O ' ' CZ ' ' A' ' 38' ' ' PHE . 12.4 t -73.38 -39.8 64.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.454 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.18 -16.87 61.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.686 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.984 HG22 ' H ' ' A' ' 34' ' ' SER . 6.5 m -134.97 -145.23 0.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.62 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.984 ' H ' HG22 ' A' ' 33' ' ' THR . 19.2 t 37.49 88.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.474 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -49.11 -31.16 7.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.53 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -63.13 -62.46 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.673 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 m -53.4 -38.11 63.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.474 ' CZ ' ' O ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -45.73 -47.46 15.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.736 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -66.31 -45.49 80.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.352 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -60.65 -31.3 70.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.656 0.265 . . . . 0.0 111.365 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.1 m -66.09 -39.91 90.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.921 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -76.66 -34.17 58.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.888 0.375 . . . . 0.0 110.541 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -63.9 -26.39 68.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.66 -31.29 15.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.626 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.22 -33.43 75.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.639 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -90.81 -66.61 0.91 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.545 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.48 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.622 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.5 OUTLIER 46.62 8.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.704 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.667 ' O ' ' SG ' ' A' ' 5' ' ' CYS . 2.5 m-20 -69.23 60.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.528 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.43 ' C ' ' SG ' ' A' ' 32' ' ' CYS . 27.7 mttt 65.9 8.45 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.704 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.667 ' SG ' ' O ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -117.26 -49.15 2.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.458 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -89.45 -9.77 48.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.476 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.0 -21.4 19.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.642 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.75 114.62 14.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.611 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 mp -71.55 -19.23 62.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.474 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -49.07 17.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.73 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.6 mtt180 -55.32 -28.01 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -68.91 -53.62 20.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.935 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.7 mt -49.61 -34.92 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.2 -50.38 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.857 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 84.0 m -59.67 -21.23 60.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.695 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.7 m -77.8 -33.36 52.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.55 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -70.97 -29.39 65.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.565 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.32 -58.6 4.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.701 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.621 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -60.95 -31.23 70.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.691 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.428 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 28.1 m-20 -57.45 -31.85 66.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.428 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 21' ' ' ARG . 17.6 ttm180 -69.72 -58.04 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.268 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.61 HG11 ' CE2' ' A' ' 27' ' ' TYR . 1.3 t -75.57 -19.37 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.089 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.621 ' N ' ' O ' ' A' ' 19' ' ' ARG . 3.1 mtt180 60.74 43.07 12.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.109 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.503 HG22 ' H ' ' A' ' 26' ' ' ASP . 6.6 m -132.44 136.24 46.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.786 0.327 . . . . 0.0 110.526 179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -66.0 -26.98 67.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.593 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.503 ' H ' HG22 ' A' ' 24' ' ' THR . 80.9 m-20 -70.74 -36.47 73.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.585 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.61 ' CE2' HG11 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -64.29 -21.45 66.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.491 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -72.19 -50.4 27.91 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.658 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.22 -13.09 24.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.56 ' O ' ' OG1' ' A' ' 33' ' ' THR . 4.8 tp10 -79.86 -27.29 40.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.588 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.4 t -77.7 -40.41 41.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.998 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.638 ' SG ' ' O ' ' A' ' 3' ' ' ASP . 0.1 OUTLIER -73.55 -0.51 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.958 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.56 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -64.4 -152.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.49 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.447 ' H ' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -66.1 -171.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.468 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -79.79 -38.87 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.562 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 p -47.94 -43.75 29.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.808 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.1 -33.12 33.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.716 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -61.28 -30.43 70.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.779 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -76.06 -41.27 51.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.726 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -60.08 -47.5 85.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.63 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.91 -46.21 10.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -71.33 -45.37 63.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.6 m -58.92 -25.51 63.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.351 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.29 -18.54 36.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.399 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 45' ' ' LEU . 11.9 mt -79.66 -21.58 44.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.555 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -103.08 -63.78 1.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.662 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.509 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 47.98 23.34 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.449 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.554 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 20.8 t70 -83.53 58.05 4.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.72 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.554 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 1.7 tttp 84.33 -25.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.52 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.6 m -85.03 -65.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.44 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -70.69 1.63 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.58 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -90.05 -16.64 29.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.528 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.03 106.46 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.573 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.47 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 3.9 mm? -66.33 -5.29 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.532 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -88.23 -55.36 3.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.868 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -68.24 -32.48 72.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.64 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -55.89 -29.58 60.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.5 mt -85.54 -46.02 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.833 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.8 -41.55 78.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.726 ' SG ' ' CZ ' ' A' ' 28' ' ' PHE . 6.2 t -62.6 -36.03 81.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.668 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.3 m -61.26 -43.22 99.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 110.057 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -58.85 -40.22 83.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.752 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.04 -46.06 86.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.251 -179.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' ARG . 2.2 tmt_? -80.71 -37.65 30.29 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.798 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.57 -18.37 65.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.287 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.2 ttt-85 -78.04 -35.41 49.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.163 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.827 HG21 ' CE2' ' A' ' 27' ' ' TYR . 4.5 t -103.6 -15.2 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.385 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' ARG . 56.8 mtm-85 58.99 46.4 13.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.7 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' TYR . 1.3 m -130.04 105.93 8.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.551 ' O ' ' OD1' ' A' ' 25' ' ' ASP . 65.7 t0 -46.95 -21.97 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.575 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -77.12 -28.67 54.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.641 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.827 ' CE2' HG21 ' A' ' 22' ' ' VAL . 1.5 m-85 -65.22 -52.78 52.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.173 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.726 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 14.0 t80 -43.52 -59.13 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.968 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -43.87 -31.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.994 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.59 -29.5 67.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.024 0.44 . . . . 0.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.758 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 12.7 p -71.69 -53.72 12.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.899 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.758 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -64.85 0.06 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 -179.503 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.823 HG22 ' H ' ' A' ' 34' ' ' SER . 2.0 m -67.94 -150.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.664 -0.414 . . . . 0.0 109.947 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.823 ' H ' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -62.07 171.5 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.272 179.649 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.63 -38.48 58.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -45.98 66.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.476 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.2 m -61.62 -36.28 80.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.399 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -53.68 -52.83 58.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.446 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -49.8 -39.27 37.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.772 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -58.64 6.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.631 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.73 -13.2 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -85.88 -38.51 17.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.327 . . . . 0.0 110.725 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.2 -29.71 66.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.159 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.75 ' N ' ' SD ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -69.8 -21.74 63.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.148 179.734 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 mt -82.31 -48.3 11.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.433 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -59.17 -56.07 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.475 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.604 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.654 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.0 OUTLIER 31.78 66.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.637 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.529 ' O ' ' SG ' ' A' ' 32' ' ' CYS . 63.2 m-20 -97.48 52.61 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.484 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 3' ' ' ASP . 10.7 tttm 80.45 -14.07 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.354 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -105.02 -67.61 0.9 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.392 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.12 -11.9 1.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.186 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -84.34 -49.5 8.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.41 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 10' ' ' ARG . 7.3 m -90.22 112.8 24.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.36 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.03 -2.9 0.47 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.434 ' H ' ' C ' ' A' ' 8' ' ' SER . 58.0 mtt85 -92.03 -53.62 4.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.655 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.428 ' NH2' ' HZ1' ' A' ' 4' ' ' LYS . 2.7 mtt-85 -69.32 -13.35 62.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.656 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' A' ' 16' ' ' THR . 47.6 tt0 -76.94 -50.78 12.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.422 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.71 -37.31 65.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.598 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.16 -24.83 60.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.526 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 11' ' ' ARG . 56.7 m -86.27 -21.72 27.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.285 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -78.3 -53.73 6.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.473 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -47.59 -24.64 0.93 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.553 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.21 -48.17 18.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.359 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.588 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -78.18 -46.61 20.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.141 179.765 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.427 ' N ' ' HD3' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -45.16 -28.48 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.201 179.665 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.9 ttt85 -74.37 -50.09 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.494 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.007 HG21 ' CE2' ' A' ' 27' ' ' TYR . 10.6 t -88.06 -5.1 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.736 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.8 OUTLIER 46.27 47.94 13.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.755 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 26' ' ' ASP . 8.1 m -123.71 104.94 9.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.616 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.23 -15.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.47 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.546 ' N ' ' O ' ' A' ' 24' ' ' THR . 3.0 t70 -83.66 -47.74 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.406 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.007 ' CE2' HG21 ' A' ' 22' ' ' VAL . 2.5 m-85 -44.64 -44.11 8.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.36 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -53.83 -53.84 46.81 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -61.13 -20.29 62.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.753 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.88 -13.31 59.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.73 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 43.4 t -86.38 -36.72 19.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.221 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' A' ' 3' ' ' ASP . 2.6 t -76.51 -14.25 60.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.712 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 1.062 HG22 ' H ' ' A' ' 34' ' ' SER . 5.7 m -52.42 -164.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 1.062 ' H ' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -50.11 -173.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.902 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.478 ' N ' ' OG ' ' A' ' 34' ' ' SER . 15.2 mt-10 -83.49 -29.48 27.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.667 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.6 m -57.97 -65.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.6 m -52.82 -35.6 57.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.455 ' CD2' ' O ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -53.69 -50.41 65.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.902 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -61.69 -30.02 70.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.294 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -71.73 -45.47 61.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.405 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.2 -44.67 16.3 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.369 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.44 ' N ' ' OE1' ' A' ' 42' ' ' GLN . 1.8 mp0 -71.03 -34.13 70.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.108 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 47' ' ' GLN . 92.9 m -64.96 -37.85 89.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.284 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 46' ' ' HIS . 2.0 mtt -68.39 -48.02 65.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.218 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' MET . 11.1 mt -36.3 -33.61 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.383 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.467 ' O ' ' O ' ' A' ' 47' ' ' GLN . 5.8 t60 -178.67 67.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.385 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' THR . 1.7 tt0 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.6 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.615 ' O ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER 32.02 31.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.49 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.615 ' N ' ' O ' ' A' ' 1' ' ' ALA . 0.5 OUTLIER -80.8 -22.51 39.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.615 ' C ' ' H ' ' A' ' 6' ' ' GLU . 19.1 tttp -176.11 114.44 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.602 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.438 ' SG ' ' C ' ' A' ' 4' ' ' LYS . 1.3 m 66.18 -30.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.403 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.615 ' H ' ' C ' ' A' ' 4' ' ' LYS . 18.8 mt-10 -58.92 -28.28 66.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.424 . . . . 0.0 110.086 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -34.95 77.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.237 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m -129.72 84.95 2.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.755 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tp -57.15 -15.02 4.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.157 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -72.09 -19.5 61.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.325 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.446 HH11 ' HG3' ' A' ' 11' ' ' ARG . 38.7 mtt85 -98.35 -17.27 18.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.349 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -78.84 -30.17 45.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.706 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.1 mt -72.86 -34.01 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.611 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.05 -48.11 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.159 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.712 ' SG ' ' CE2' ' A' ' 38' ' ' PHE . 57.8 m -61.66 -13.14 19.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.305 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.7 m -78.87 -33.1 46.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.721 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.4 mttt -73.26 -24.13 60.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.481 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -41.91 33.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.546 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 20' ' ' ASP . 1.6 ptm180 -64.45 -41.2 96.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 0.0 110.339 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -58.31 -24.77 60.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.175 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -73.25 -31.3 64.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.371 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.703 HG21 ' CD2' ' A' ' 27' ' ' TYR . 14.2 t -106.97 -4.67 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.688 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER 45.19 35.09 1.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 179.689 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 26' ' ' ASP . 95.7 m -135.14 121.26 20.05 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.49 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -53.05 -36.04 60.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.668 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.448 ' H ' HG22 ' A' ' 24' ' ' THR . 5.3 t0 -62.01 -21.76 65.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.703 ' CD2' HG21 ' A' ' 22' ' ' VAL . 1.2 t80 -86.49 -12.95 47.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.529 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -79.7 -56.97 3.9 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.355 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -57.92 -26.35 62.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.013 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.416 ' O ' ' OG1' ' A' ' 33' ' ' THR . 2.4 mm-40 -62.45 -30.02 70.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.025 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.49 ' C ' ' H ' ' A' ' 33' ' ' THR . 51.6 t -70.31 -55.41 9.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.653 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 2.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.791 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.769 HG22 ' H ' ' A' ' 34' ' ' SER . 1.0 OUTLIER -76.96 -153.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.915 0.388 . . . . 0.0 111.055 -179.758 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.769 ' H ' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -33.15 128.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.3 -34.78 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.363 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.71 -32.61 74.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.44 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.0 m -74.05 -29.19 61.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.302 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.712 ' CE2' ' SG ' ' A' ' 15' ' ' CYS . 1.9 t80 -60.32 -41.49 93.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.283 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -79.25 -22.83 44.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.487 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -65.65 -38.0 88.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.364 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.678 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -66.24 -59.78 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.373 179.7 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -39.33 -38.47 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.444 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.1 m -72.05 -35.24 69.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.557 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.6 mtt -102.34 5.18 39.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.168 0.509 . . . . 0.0 109.872 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.678 ' N ' ' O ' ' A' ' 41' ' ' CYS . 5.1 tp -115.13 -47.07 2.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.296 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.557 ' O ' ' O ' ' A' ' 47' ' ' GLN . 9.2 t-80 -80.67 -48.1 13.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.706 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.557 ' O ' ' O ' ' A' ' 46' ' ' HIS . 18.9 mt-30 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.569 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.616 ' H ' ' CB ' ' A' ' 6' ' ' GLU . 9.3 t70 60.33 6.53 1.05 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.423 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER -34.74 -69.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.442 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.485 ' C ' ' OD1' ' A' ' 7' ' ' ASP . 3.8 tptm -149.73 -29.58 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.768 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -109.22 -35.7 6.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.616 ' CB ' ' H ' ' A' ' 2' ' ' ASP . 3.4 mp0 -56.34 -27.24 55.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.375 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.485 ' OD1' ' C ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -59.36 -58.83 6.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.17 105.32 17.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.5 mt -45.37 -26.43 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.623 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.38 -45.53 79.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -60.5 -26.73 67.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.516 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -74.89 -37.81 62.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.66 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 mm -66.88 -39.69 84.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.029 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.39 -33.87 67.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.477 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.698 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 65.5 m -75.33 -26.65 58.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.374 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.9 m -71.89 -32.46 67.45 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -71.67 -17.94 62.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.052 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.0 t -79.88 -39.23 30.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.278 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.682 ' O ' ' N ' ' A' ' 23' ' ' ARG . 5.3 ptm180 -74.52 -40.84 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.362 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.488 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 25.1 t0 -60.37 -27.87 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.453 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -65.79 -50.6 64.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.314 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.45 HG11 ' CE2' ' A' ' 27' ' ' TYR . 1.8 t -98.13 -5.41 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.314 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.682 ' N ' ' O ' ' A' ' 19' ' ' ARG . 4.5 mtt180 49.97 35.26 9.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.504 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.46 115.12 19.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -48.59 -22.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -74.88 -26.04 59.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.634 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.45 ' CE2' HG11 ' A' ' 22' ' ' VAL . 1.4 m-85 -83.16 -0.83 51.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.674 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -87.59 -49.94 6.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.12 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -63.93 -21.19 66.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.03 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.82 -20.53 64.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.915 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.693 ' SG ' ' CZ ' ' A' ' 38' ' ' PHE . 41.2 t -79.8 -59.49 2.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.781 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.582 ' O ' ' O ' ' A' ' 33' ' ' THR . 3.4 t -57.88 -13.79 5.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.829 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.582 ' O ' ' O ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -54.19 -144.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.613 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.17 162.46 28.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.499 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -54.87 -43.04 72.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.579 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -48.69 -47.34 40.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.96 -34.97 77.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.698 ' CZ ' ' SG ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -65.11 -45.48 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -65.04 -52.62 54.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.619 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -44.86 -53.54 7.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.509 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.5 t -55.49 -50.24 70.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.465 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -55.2 -24.38 26.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.416 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.83 -42.78 16.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.798 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.53 -10.22 59.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.773 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mt -75.62 -38.55 58.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.869 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.541 ' O ' ' C ' ' A' ' 47' ' ' GLN . 15.1 t-80 -134.1 17.41 3.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.707 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.541 ' C ' ' O ' ' A' ' 46' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.593 179.988 . . . . . . . . 2 2 . 1 stop_ save_