data_2k61_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 2k61 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.844 0.354 . . . . 23.460000000000001 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.2 tp -85.15 111.67 20.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 14.380000000000001 110.512 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.432 ' O ' HG13 ' A' ' 9' ' ' ILE . 37.4 p -91.26 156.82 17.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 7.3399999999999999 111.297 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -54.8 -38.79 67.74 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.765 -0.652 . . . . 7.1200000000000001 111.816 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -59.22 -42.01 90.0 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.464 -0.335 . . . . 6.8499999999999996 111.343 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -67.22 -42.31 84.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.389 -0.369 . . . . 15.1 111.048 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 5' ' ' THR . 45.1 mt -60.82 -36.05 68.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.319 -0.4 . . . . 4.7199999999999998 111.665 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.9 -36.03 79.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.386 -0.37 . . . . 6.6799999999999997 111.319 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -74.02 -28.71 61.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.237 -0.438 . . . . 18.489999999999998 110.948 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.588 ' HB3' ' HE1' ' A' ' 72' ' ' MET . 22.1 m-30 -76.59 -41.88 44.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.502 . . . . 14.890000000000001 110.724 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -57.93 -33.81 69.2 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.916 -0.584 . . . . 18.390000000000001 111.432 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.66 -39.22 90.6 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.399 -0.364 . . . . 22.760000000000002 111.167 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.95 -43.78 74.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.299 -0.41 . . . . 5.6699999999999999 111.291 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -56.97 -39.06 73.89 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.383 -0.371 . . . . 13.279999999999999 111.503 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.7 m -69.84 -22.59 63.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 12.16 111.413 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 38.6 tp -82.36 -37.7 25.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 17.890000000000001 110.846 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -69.84 -41.06 75.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.46 . . . . 9.1400000000000006 111.008 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.418 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . 1.1 m-20 -72.17 110.66 6.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.375 . . . . 7.4699999999999998 110.605 179.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -80.26 -43.26 21.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.969 -0.56 . . . . 27.75 111.108 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.418 ' OD2' ' HB3' ' A' ' 24' ' ' ASP . 8.7 p-10 -102.63 -8.22 21.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.336 -0.393 . . . . 14.130000000000001 111.007 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.418 ' HA2' ' HB3' ' A' ' 20' ' ' ASP . . . 60.55 63.38 5.05 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 121.172 -0.537 . . . . 11.51 113.248 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.418 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . 6.9 p-10 -101.27 -6.93 23.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.845 0.322 . . . . 14.279999999999999 111.064 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.38 -13.72 51.26 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.597 -0.811 . . . . 9.4700000000000006 113.109 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.7 p -126.8 159.9 32.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.841 0.353 . . . . 16.41 110.729 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.64 ' HB ' ' HB ' ' A' ' 63' ' ' ILE . 58.3 mt -119.62 111.68 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 8.0299999999999994 110.935 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.8 p -85.23 174.87 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.174 -0.466 . . . . 7.7999999999999998 110.693 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.2 p -64.97 -27.29 68.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 10.039999999999999 111.242 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.468 ' HE3' ' HB3' ' A' ' 30' ' ' LYS . 1.7 tmmt? -68.95 -47.08 66.54 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.237 -0.438 . . . . 16.379999999999999 111.048 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -72.28 -35.73 68.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 5.5899999999999999 110.99 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.9 tp -63.64 -38.03 89.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.672 -0.695 . . . . 7.7199999999999998 111.482 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.69 -15.57 77.51 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.788 -0.72 . . . . 6.9299999999999997 113.689 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.7 m -71.28 -42.7 68.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.096 0.448 . . . . 9.6300000000000008 111.15 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.514 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 25.9 t -76.48 -38.26 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 7.0700000000000003 110.848 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 58.9 mtt -64.0 -29.74 70.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 10.119999999999999 111.707 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -64.96 -45.52 85.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.533 -0.303 . . . . 9.8699999999999992 111.083 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.9 p -72.76 -7.31 50.02 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.25 -0.432 . . . . 8.1500000000000004 111.717 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 62.7 mt -90.97 8.83 33.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.801 0.334 . . . . 12.779999999999999 110.854 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.91 4.19 84.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.87 -0.681 . . . . 9.5999999999999996 112.605 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -103.07 156.86 17.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.715 0.293 . . . . 20.350000000000001 110.691 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -138.03 78.61 34.55 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.327 -0.397 . . . . 10.220000000000001 110.672 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -83.37 145.9 12.14 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.762 2.308 . . . . 8.6300000000000008 112.502 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.9 p -88.7 -178.63 5.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 4.8300000000000001 110.734 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -63.9 -46.47 84.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 16.780000000000001 110.985 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.64 84.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.104 -0.498 . . . . 4.7999999999999998 111.903 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 51' ' ' MET . 45.2 mt-10 -70.12 -40.65 74.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.675 -0.238 . . . . 6.1799999999999997 111.189 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.0 mt -65.89 -27.31 68.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 6.6500000000000004 111.547 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -71.86 -42.54 66.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.415 -0.357 . . . . 7.0499999999999998 110.733 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -65.53 -35.28 80.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.26 -0.427 . . . . 6.7199999999999998 111.397 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 53.3 mtt -64.53 -34.55 78.49 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.342 -0.39 . . . . 13.6 111.294 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.4 mt -75.19 -35.81 35.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 8.7100000000000009 111.29 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.431 ' HA ' ' HB3' ' A' ' 56' ' ' ASP . 92.7 m-20 -60.79 -23.94 65.41 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.1 -0.5 . . . . 9.0399999999999991 112.218 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -52.07 -41.07 62.07 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.274 0.472 . . . . 23.579999999999998 112.274 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.651 HG13 ' HB2' ' A' ' 71' ' ' MET . 23.0 m -114.79 -5.9 11.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 111.802 0.297 . . . . 7.5999999999999996 111.802 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.431 ' HB3' ' HA ' ' A' ' 53' ' ' ASN . 39.1 t70 -83.16 112.24 19.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.941 0.401 . . . . 12.550000000000001 110.94 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.11 8.33 2.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.96 -0.564 . . . . 15.130000000000001 110.801 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.449 ' HB2' ' OD1' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -100.46 -9.09 22.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 14.32 110.818 -179.854 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.49 46.29 7.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.864 -0.684 . . . . 13.640000000000001 113.22 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' OD1' ' HB2' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -120.43 -24.89 5.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.747 0.308 . . . . 13.27 110.896 179.473 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.02 13.27 83.23 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.949 -0.643 . . . . 11.65 113.179 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.7 p -130.68 176.83 7.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.98 0.419 . . . . 11.550000000000001 111.324 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.64 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 36.5 mt -117.08 102.01 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.99 -0.55 . . . . 10.06 110.585 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.94 -175.58 1.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.001 0.429 . . . . 11.33 111.741 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.404 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 26.1 t80 -62.72 -54.11 50.53 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.826 -0.624 . . . . 7.4000000000000004 112.096 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.404 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 46.4 Cg_endo -68.27 -22.57 39.9 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 121.935 1.756 . . . . 6.6600000000000001 112.608 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.39 -39.15 62.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.483 -0.326 . . . . 7.4400000000000004 110.933 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.03 -40.6 62.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 8.5800000000000001 110.975 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.9 mt -56.39 -45.89 80.36 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.332 -0.394 . . . . 9.4299999999999997 111.392 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.5 m -67.81 -35.23 78.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.296 -0.411 . . . . 7.5300000000000002 111.008 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.651 ' HB2' HG13 ' A' ' 55' ' ' VAL . 36.7 ttm -68.08 -47.37 68.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.93 -0.577 . . . . 11.859999999999999 111.457 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.588 ' HE1' ' HB3' ' A' ' 12' ' ' PHE . 71.4 mtm -68.33 -19.07 64.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 22.32 112.101 -179.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.14 -36.29 61.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.861 0.362 . . . . 9.1500000000000004 110.837 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -89.81 -7.65 53.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 13.800000000000001 112.397 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -110.22 -50.71 2.94 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.803 -0.359 . . . . 25.18 111.681 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 79.4 mtp -80.05 108.3 13.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 34.789999999999999 110.886 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.5 25.51 11.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.927 -0.579 . . . . 37.649999999999999 110.589 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 62.76 -99.06 0.08 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.754 0.659 . . . . 42.579999999999998 110.903 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.1 m -83.17 105.17 13.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.377 . . . . 38.399999999999999 110.09 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -86.41 -175.12 5.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 37.509999999999998 111.555 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.43 ' O ' HG13 ' A' ' 85' ' ' ILE . 88.0 p -80.41 174.51 11.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 33.119999999999997 111.062 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -64.44 -30.48 71.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.903 -0.589 . . . . 34.280000000000001 110.991 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -60.11 -45.64 92.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.539 -0.755 . . . . 30.91 111.35 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -79.11 -26.72 42.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.465 -0.334 . . . . 22.859999999999999 111.627 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 81' ' ' SER . 30.7 mt -62.82 -36.82 77.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 116.545 -0.298 . . . . 19.170000000000002 111.554 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.635 ' HB2' ' HH ' ' A' ' 138' ' ' TYR . 19.4 tpt180 -70.71 -37.08 73.52 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.864 0.364 . . . . 26.850000000000001 110.9 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.73 -43.44 98.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.888 -0.596 . . . . 16.48 111.28 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.58 -24.4 56.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.57 -0.287 . . . . 9.9100000000000001 111.694 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -66.16 -37.54 85.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.304 -0.407 . . . . 8.5299999999999994 111.341 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -73.74 -11.29 60.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 17.579999999999998 111.764 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 52.2 t -76.82 -46.78 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 7.8200000000000003 110.995 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.805 ' HA ' HG23 ' A' ' 108' ' ' VAL . 73.6 m-85 -75.3 -23.65 57.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 9.1099999999999994 110.67 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.658 ' HB2' HG12 ' A' ' 100' ' ' ILE . 26.1 t70 -105.58 82.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.931 -0.577 . . . . 11.109999999999999 110.186 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.603 ' HZ1' HG22 ' A' ' 108' ' ' VAL . 58.7 mttp -78.98 -1.87 37.47 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.697 0.628 . . . . 14.57 112.697 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -93.93 -10.69 32.95 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.456 -0.498 . . . . 10.199999999999999 110.756 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.25 28.75 64.79 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 115.789 -0.641 . . . . 6.2400000000000002 113.971 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -99.72 -13.08 19.46 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 117.355 0.577 . . . . 7.5599999999999996 110.95 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.557 ' O ' ' HA ' ' A' ' 137' ' ' ASN . . . 95.87 -1.35 63.31 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.876 -0.678 . . . . 7.0800000000000001 113.442 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.494 ' HB3' ' HB3' ' A' ' 135' ' ' GLN . 69.5 m-85 -123.1 129.96 52.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.129 0.464 . . . . 9.0 111.379 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.658 HG12 ' HB2' ' A' ' 93' ' ' ASP . 17.9 mt -112.64 105.74 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.002 -0.544 . . . . 9.2899999999999991 111.028 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.3 p -87.06 -176.39 5.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.649 0.261 . . . . 7.0199999999999996 110.667 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.04 -49.08 75.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.245 -0.434 . . . . 6.4100000000000001 111.337 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.38 -49.46 69.8 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.174 -0.466 . . . . 5.0099999999999998 111.837 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.93 -45.28 95.3 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.228 -0.442 . . . . 6.8399999999999999 111.869 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 35.3 tp -63.77 -44.43 93.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 4.9900000000000002 111.931 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -63.46 -32.11 73.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.616 -0.265 . . . . 15.24 111.58 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -66.0 -46.53 77.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.451 -0.34 . . . . 15.69 111.009 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.805 HG23 ' HA ' ' A' ' 92' ' ' PHE . 20.8 t -68.58 -35.53 70.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 12.279999999999999 111.632 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.0 mmt -66.39 -45.01 81.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.634 -0.257 . . . . 9.5299999999999994 111.333 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.0 m -66.77 -35.59 80.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.984 0.421 . . . . 11.869999999999999 110.894 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -67.68 -38.04 83.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.829 -0.623 . . . . 21.649999999999999 110.228 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.481 HD13 HD23 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -65.75 -24.74 67.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.662 -0.699 . . . . 19.550000000000001 111.327 178.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.19 -0.55 22.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 19.66 112.488 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -94.16 107.04 19.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.937 0.399 . . . . 25.550000000000001 110.486 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -85.19 118.89 25.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 23.260000000000002 110.972 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.05 162.53 34.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.984 -0.553 . . . . 23.07 111.346 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 32.0 p -86.32 177.77 7.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.804 -0.635 . . . . 19.41 110.832 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -69.99 -38.88 76.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 18.079999999999998 111.409 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -66.18 -32.83 74.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.418 -0.355 . . . . 20.16 111.783 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.92 -34.44 77.79 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.835 0.35 . . . . 14.19 110.802 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.431 ' HA ' ' HE2' ' A' ' 124' ' ' MET . 47.1 t -72.79 -36.24 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.91 -0.586 . . . . 14.970000000000001 111.087 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -67.41 -24.55 65.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.165 -0.47 . . . . 20.120000000000001 111.077 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -78.02 -37.02 47.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 15.720000000000001 110.62 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.431 ' HE2' ' HA ' ' A' ' 121' ' ' VAL . 71.8 mtm -72.98 -32.03 64.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.168 -0.469 . . . . 9.75 110.86 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 16.6 mm -68.6 -47.48 76.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.034 -0.53 . . . . 11.99 111.578 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 126' ' ' ARG . 58.9 mtt180 -70.58 -17.39 62.91 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.607 -0.269 . . . . 27.23 111.684 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.83 -38.59 79.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.918 0.389 . . . . 15.5 110.749 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.464 ' O ' ' HB3' ' A' ' 140' ' ' GLU . . . -98.48 -14.55 19.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 10.5 111.514 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.38 131.45 41.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.032 0.444 . . . . 10.859999999999999 111.412 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 6.7 mt -107.06 -24.55 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.761 -0.654 . . . . 12.26 110.546 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -102.61 -9.3 20.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.564 . . . . 7.79 111.444 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.61 56.3 25.38 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 121.047 -0.597 . . . . 3.9300000000000002 112.95 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -115.5 0.59 13.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.709 0.29 . . . . 9.5600000000000005 111.332 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.82 -7.95 80.76 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.764 -0.731 . . . . 7.3200000000000003 113.105 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.494 ' HB3' ' HB3' ' A' ' 99' ' ' TYR . 98.5 mt-30 -120.99 142.01 50.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 22.050000000000001 110.602 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.454 HG11 ' HB2' ' A' ' 140' ' ' GLU . 79.1 t -116.58 117.39 55.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.145 -0.48 . . . . 10.34 111.328 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.557 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 1.7 p30 -87.88 -171.09 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 12.02 110.818 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.635 ' HH ' ' HB2' ' A' ' 86' ' ' ARG . 17.5 t80 -67.1 -40.82 87.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.382 -0.372 . . . . 8.75 111.395 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.51 -42.53 96.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.371 -0.377 . . . . 22.329999999999998 111.018 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.464 ' HB3' ' O ' ' A' ' 128' ' ' ALA . 82.3 mt-10 -73.69 -18.63 60.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.193 -0.458 . . . . 13.449999999999999 111.755 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' A' ' 144' ' ' MET . 10.1 t80 -70.24 -42.35 72.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.073 0.463 . . . . 8.25 109.983 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.69 -28.35 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.635 -0.711 . . . . 10.15 110.214 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -56.9 -38.08 72.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.037 -0.983 . . . . 8.2400000000000002 111.878 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.446 ' HG2' ' O ' ' A' ' 141' ' ' PHE . 22.9 ptm -80.17 -14.72 58.24 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.608 0.242 . . . . 6.6799999999999997 111.431 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 21.6 mmt -85.42 -15.75 42.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.003 0.43 . . . . 13.369999999999999 110.549 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 82.7 p -107.74 -24.85 11.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.884 -0.598 . . . . 10.779999999999999 110.834 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -155.32 125.92 6.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.97 -0.559 . . . . 18.52 111.01 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.197 -0.906 . . . . 23.420000000000002 110.899 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 999' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.844 0.354 . . . . 23.46 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.2 tp -85.15 111.67 20.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 14.38 110.512 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.435 ' O ' HG13 ' A' ' 9' ' ' ILE . 37.4 p -91.26 156.82 17.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 7.34 111.297 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -54.8 -38.79 67.74 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.765 -0.652 . . . . 7.12 111.816 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -59.22 -42.01 90.0 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.464 -0.335 . . . . 6.85 111.343 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -67.22 -42.31 84.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.389 -0.369 . . . . 15.1 111.048 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 5' ' ' THR . 45.1 mt -60.82 -36.05 68.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.319 -0.4 . . . . 4.72 111.665 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.9 -36.03 79.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.386 -0.37 . . . . 6.68 111.319 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -74.02 -28.71 61.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.237 -0.438 . . . . 18.49 110.948 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.44 ' HB3' ' HE3' ' A' ' 72' ' ' MET . 22.1 m-30 -76.59 -41.88 44.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.502 . . . . 14.89 110.724 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -57.93 -33.81 69.2 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.916 -0.584 . . . . 18.39 111.432 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.66 -39.22 90.6 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.399 -0.364 . . . . 22.76 111.167 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.95 -43.78 74.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.299 -0.41 . . . . 5.67 111.291 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -56.97 -39.06 73.89 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.383 -0.371 . . . . 13.28 111.503 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.7 m -69.84 -22.59 63.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 12.16 111.413 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 38.6 tp -82.36 -37.7 25.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 17.89 110.846 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -69.84 -41.06 75.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.46 . . . . 9.14 111.008 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . 1.1 m-20 -72.17 110.66 6.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.375 . . . . 7.47 110.605 179.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -80.26 -43.26 21.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.969 -0.56 . . . . 27.75 111.108 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.419 ' OD2' ' HB3' ' A' ' 24' ' ' ASP . 8.7 p-10 -102.63 -8.22 21.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.336 -0.393 . . . . 14.13 111.007 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.433 ' HA2' ' HB3' ' A' ' 20' ' ' ASP . . . 60.55 63.38 5.05 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 121.172 -0.537 . . . . 11.51 113.248 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.419 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . 6.9 p-10 -101.27 -6.93 23.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.845 0.322 . . . . 14.28 111.064 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.38 -13.72 51.26 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.597 -0.811 . . . . 9.47 113.109 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.7 p -126.8 159.9 32.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.841 0.353 . . . . 16.41 110.729 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.668 ' HB ' ' HB ' ' A' ' 63' ' ' ILE . 58.3 mt -119.62 111.68 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 8.03 110.935 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.8 p -85.23 174.87 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.174 -0.466 . . . . 7.8 110.693 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.2 p -64.97 -27.29 68.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 10.04 111.242 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.47 ' HE3' ' HB3' ' A' ' 30' ' ' LYS . 1.7 tmmt? -68.95 -47.08 66.54 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.237 -0.438 . . . . 16.38 111.048 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -72.28 -35.73 68.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 5.59 110.99 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.9 tp -63.64 -38.03 89.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.672 -0.695 . . . . 7.72 111.482 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.69 -15.57 77.51 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.788 -0.72 . . . . 6.93 113.689 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.7 m -71.28 -42.7 68.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.096 0.448 . . . . 9.63 111.15 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.525 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 25.9 t -76.48 -38.26 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 7.07 110.848 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 58.9 mtt -64.0 -29.74 70.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 10.12 111.707 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -64.96 -45.52 85.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.533 -0.303 . . . . 9.87 111.083 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.9 p -72.76 -7.31 50.02 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.25 -0.432 . . . . 8.15 111.717 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 62.7 mt -90.97 8.83 33.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.801 0.334 . . . . 12.78 110.854 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.91 4.19 84.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.87 -0.681 . . . . 9.6 112.605 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -103.07 156.86 17.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.715 0.293 . . . . 20.35 110.691 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -138.03 78.61 34.55 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.327 -0.397 . . . . 10.22 110.672 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -83.37 145.9 12.14 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.762 2.308 . . . . 8.63 112.502 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.9 p -88.7 -178.63 5.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 4.83 110.734 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -63.9 -46.47 84.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 16.78 110.985 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.64 84.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.104 -0.498 . . . . 4.8 111.903 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 51' ' ' MET . 45.2 mt-10 -70.12 -40.65 74.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.675 -0.238 . . . . 6.18 111.189 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.0 mt -65.89 -27.31 68.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 6.65 111.547 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -71.86 -42.54 66.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.415 -0.357 . . . . 7.05 110.733 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -65.53 -35.28 80.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.26 -0.427 . . . . 6.72 111.397 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 53.3 mtt -64.53 -34.55 78.49 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.342 -0.39 . . . . 13.6 111.294 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.4 mt -75.19 -35.81 35.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 8.71 111.29 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.468 ' HA ' ' HB3' ' A' ' 56' ' ' ASP . 92.7 m-20 -60.79 -23.94 65.41 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.1 -0.5 . . . . 9.04 112.218 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -52.07 -41.07 62.07 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.274 0.472 . . . . 23.58 112.274 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.673 HG11 ' HB2' ' A' ' 71' ' ' MET . 23.0 m -114.79 -5.9 11.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 111.802 0.297 . . . . 7.6 111.802 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.468 ' HB3' ' HA ' ' A' ' 53' ' ' ASN . 39.1 t70 -83.16 112.24 19.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.941 0.401 . . . . 12.55 110.94 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.11 8.33 2.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.96 -0.564 . . . . 15.13 110.801 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.448 ' HB2' ' OD1' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -100.46 -9.09 22.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 14.32 110.818 -179.854 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.49 46.29 7.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.864 -0.684 . . . . 13.64 113.22 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.448 ' OD1' ' HB2' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -120.43 -24.89 5.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.747 0.308 . . . . 13.27 110.896 179.473 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.02 13.27 83.23 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.949 -0.643 . . . . 11.65 113.179 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.7 p -130.68 176.83 7.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.98 0.419 . . . . 11.55 111.324 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.668 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 36.5 mt -117.08 102.01 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.99 -0.55 . . . . 10.06 110.585 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.94 -175.58 1.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.001 0.429 . . . . 11.33 111.741 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.429 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 26.1 t80 -62.72 -54.11 50.53 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.826 -0.624 . . . . 7.4 112.096 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.429 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 46.4 Cg_endo -68.27 -22.57 39.9 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 121.935 1.756 . . . . 6.66 112.608 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.39 -39.15 62.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.483 -0.326 . . . . 7.44 110.933 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.03 -40.6 62.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 8.58 110.975 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.9 mt -56.39 -45.89 80.36 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.332 -0.394 . . . . 9.43 111.392 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.5 m -67.81 -35.23 78.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.296 -0.411 . . . . 7.53 111.008 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.673 ' HB2' HG11 ' A' ' 55' ' ' VAL . 36.7 ttm -68.08 -47.37 68.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.93 -0.577 . . . . 11.86 111.457 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.44 ' HE3' ' HB3' ' A' ' 12' ' ' PHE . 71.4 mtm -68.33 -19.07 64.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 22.32 112.101 -179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.14 -36.29 61.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.861 0.362 . . . . 9.15 110.837 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -89.81 -7.65 53.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 13.8 112.397 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -110.22 -50.71 2.94 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.803 -0.359 . . . . 25.18 111.681 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 79.4 mtp -80.05 108.3 13.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 34.79 110.886 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.5 25.51 11.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.927 -0.579 . . . . 37.65 110.589 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 62.76 -99.06 0.08 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.754 0.659 . . . . 42.58 110.903 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.1 m -83.17 105.17 13.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.377 . . . . 38.4 110.09 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -86.41 -175.12 5.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 37.51 111.555 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.427 ' O ' HG13 ' A' ' 85' ' ' ILE . 88.0 p -80.41 174.51 11.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 33.12 111.062 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -64.44 -30.48 71.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.903 -0.589 . . . . 34.28 110.991 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -60.11 -45.64 92.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.539 -0.755 . . . . 30.91 111.35 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -79.11 -26.72 42.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.465 -0.334 . . . . 22.86 111.627 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 81' ' ' SER . 30.7 mt -62.82 -36.82 77.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 116.545 -0.298 . . . . 19.17 111.554 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -70.71 -37.08 73.52 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.864 0.364 . . . . 26.85 110.9 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.73 -43.44 98.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.888 -0.596 . . . . 16.48 111.28 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.58 -24.4 56.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.57 -0.287 . . . . 9.91 111.694 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -66.16 -37.54 85.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.304 -0.407 . . . . 8.53 111.341 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -73.74 -11.29 60.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 17.58 111.764 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 52.2 t -76.82 -46.78 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 7.82 110.995 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.825 ' HA ' HG21 ' A' ' 108' ' ' VAL . 73.6 m-85 -75.3 -23.65 57.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 9.11 110.67 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.655 ' HB2' HG12 ' A' ' 100' ' ' ILE . 26.1 t70 -105.58 82.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.931 -0.577 . . . . 11.11 110.186 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -78.98 -1.87 37.47 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.697 0.628 . . . . 14.57 112.697 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -93.93 -10.69 32.95 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.456 -0.498 . . . . 10.2 110.756 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.25 28.75 64.79 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 115.789 -0.641 . . . . 6.24 113.971 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -99.72 -13.08 19.46 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 117.355 0.577 . . . . 7.56 110.95 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.568 ' O ' ' HA ' ' A' ' 137' ' ' ASN . . . 95.87 -1.35 63.31 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.876 -0.678 . . . . 7.08 113.442 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.483 ' HB3' ' HB3' ' A' ' 135' ' ' GLN . 69.5 m-85 -123.1 129.96 52.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.129 0.464 . . . . 9.0 111.379 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.655 HG12 ' HB2' ' A' ' 93' ' ' ASP . 17.9 mt -112.64 105.74 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.002 -0.544 . . . . 9.29 111.028 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.3 p -87.06 -176.39 5.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.649 0.261 . . . . 7.02 110.667 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.04 -49.08 75.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.245 -0.434 . . . . 6.41 111.337 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.38 -49.46 69.8 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.174 -0.466 . . . . 5.01 111.837 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.93 -45.28 95.3 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.228 -0.442 . . . . 6.84 111.869 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 35.3 tp -63.77 -44.43 93.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 4.99 111.931 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 106' ' ' ARG . 27.8 ttt180 -63.46 -32.11 73.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.616 -0.265 . . . . 15.24 111.58 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -66.0 -46.53 77.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.451 -0.34 . . . . 15.69 111.009 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.825 HG21 ' HA ' ' A' ' 92' ' ' PHE . 20.8 t -68.58 -35.53 70.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 12.28 111.632 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.0 mmt -66.39 -45.01 81.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.634 -0.257 . . . . 9.53 111.333 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.0 m -66.77 -35.59 80.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.984 0.421 . . . . 11.87 110.894 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -67.68 -38.04 83.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.829 -0.623 . . . . 21.65 110.228 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.485 HD11 HD21 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -65.75 -24.74 67.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.662 -0.699 . . . . 19.55 111.327 178.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.19 -0.55 22.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 19.66 112.488 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -94.16 107.04 19.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.937 0.399 . . . . 25.55 110.486 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -85.19 118.89 25.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 23.26 110.972 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.05 162.53 34.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.984 -0.553 . . . . 23.07 111.346 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 32.0 p -86.32 177.77 7.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.804 -0.635 . . . . 19.41 110.832 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -69.99 -38.88 76.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 18.08 111.409 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -66.18 -32.83 74.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.418 -0.355 . . . . 20.16 111.783 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.92 -34.44 77.79 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.835 0.35 . . . . 14.19 110.802 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.79 -36.24 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.91 -0.586 . . . . 14.97 111.087 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -67.41 -24.55 65.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.165 -0.47 . . . . 20.12 111.077 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -78.02 -37.02 47.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 15.72 110.62 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 71.8 mtm -72.98 -32.03 64.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.168 -0.469 . . . . 9.75 110.86 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 16.6 mm -68.6 -47.48 76.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.034 -0.53 . . . . 11.99 111.578 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 126' ' ' ARG . 58.9 mtt180 -70.58 -17.39 62.91 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.607 -0.269 . . . . 27.23 111.684 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.83 -38.59 79.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.918 0.389 . . . . 15.5 110.749 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 140' ' ' GLU . . . -98.48 -14.55 19.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 10.5 111.514 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.38 131.45 41.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.032 0.444 . . . . 10.86 111.412 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 6.7 mt -107.06 -24.55 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.761 -0.654 . . . . 12.26 110.546 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -102.61 -9.3 20.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.564 . . . . 7.79 111.444 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.61 56.3 25.38 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 121.047 -0.597 . . . . 3.93 112.95 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -115.5 0.59 13.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.709 0.29 . . . . 9.56 111.332 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.82 -7.95 80.76 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.764 -0.731 . . . . 7.32 113.105 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.483 ' HB3' ' HB3' ' A' ' 99' ' ' TYR . 98.5 mt-30 -120.99 142.01 50.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 22.05 110.602 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.508 HG13 ' HB2' ' A' ' 140' ' ' GLU . 79.1 t -116.58 117.39 55.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.145 -0.48 . . . . 10.34 111.328 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.568 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 1.7 p30 -87.88 -171.09 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 12.02 110.818 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -67.1 -40.82 87.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.382 -0.372 . . . . 8.75 111.395 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.51 -42.53 96.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.371 -0.377 . . . . 22.33 111.018 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.508 ' HB2' HG13 ' A' ' 136' ' ' VAL . 82.3 mt-10 -73.69 -18.63 60.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.193 -0.458 . . . . 13.45 111.755 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.462 ' O ' ' HG2' ' A' ' 144' ' ' MET . 10.1 t80 -70.24 -42.35 72.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.073 0.463 . . . . 8.25 109.983 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.69 -28.35 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.635 -0.711 . . . . 10.15 110.214 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -56.9 -38.08 72.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.037 -0.983 . . . . 8.24 111.878 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' A' ' 141' ' ' PHE . 22.9 ptm -80.17 -14.72 58.24 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.608 0.242 . . . . 6.68 111.431 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 21.6 mmt -85.42 -15.75 42.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.003 0.43 . . . . 13.37 110.549 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 82.7 p -107.74 -24.85 11.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.884 -0.598 . . . . 10.78 110.834 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -155.32 125.92 6.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.97 -0.559 . . . . 18.52 111.01 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.197 -0.906 . . . . 23.42 110.899 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 503' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 504' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 999' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.844 0.354 . . . . 23.46 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.2 tp -85.15 111.67 20.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 14.38 110.512 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.435 ' O ' HG13 ' A' ' 9' ' ' ILE . 37.4 p -91.26 156.82 17.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 7.34 111.297 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -54.8 -38.79 67.74 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.765 -0.652 . . . . 7.12 111.816 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -59.22 -42.01 90.0 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.464 -0.335 . . . . 6.85 111.343 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -67.22 -42.31 84.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.389 -0.369 . . . . 15.1 111.048 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 5' ' ' THR . 45.1 mt -60.82 -36.05 68.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.319 -0.4 . . . . 4.72 111.665 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.9 -36.03 79.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.386 -0.37 . . . . 6.68 111.319 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -74.02 -28.71 61.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.237 -0.438 . . . . 18.49 110.948 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.44 ' HB3' ' HE3' ' A' ' 72' ' ' MET . 22.1 m-30 -76.59 -41.88 44.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.502 . . . . 14.89 110.724 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -57.93 -33.81 69.2 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.916 -0.584 . . . . 18.39 111.432 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.66 -39.22 90.6 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.399 -0.364 . . . . 22.76 111.167 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.95 -43.78 74.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.299 -0.41 . . . . 5.67 111.291 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -56.97 -39.06 73.89 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.383 -0.371 . . . . 13.28 111.503 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.7 m -69.84 -22.59 63.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 12.16 111.413 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 38.6 tp -82.36 -37.7 25.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 17.89 110.846 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -69.84 -41.06 75.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.46 . . . . 9.14 111.008 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' HB3' ' HA2' ' A' ' 23' ' ' GLY . 1.1 m-20 -72.17 110.66 6.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.375 . . . . 7.47 110.605 179.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -80.26 -43.26 21.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.969 -0.56 . . . . 27.75 111.108 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.419 ' OD2' ' HB3' ' A' ' 24' ' ' ASP . 8.7 p-10 -102.63 -8.22 21.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.336 -0.393 . . . . 14.13 111.007 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.433 ' HA2' ' HB3' ' A' ' 20' ' ' ASP . . . 60.55 63.38 5.05 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 121.172 -0.537 . . . . 11.51 113.248 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.419 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . 6.9 p-10 -101.27 -6.93 23.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.845 0.322 . . . . 14.28 111.064 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.38 -13.72 51.26 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.597 -0.811 . . . . 9.47 113.109 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.7 p -126.8 159.9 32.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.841 0.353 . . . . 16.41 110.729 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.668 ' HB ' ' HB ' ' A' ' 63' ' ' ILE . 58.3 mt -119.62 111.68 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 8.03 110.935 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.8 p -85.23 174.87 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.174 -0.466 . . . . 7.8 110.693 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.2 p -64.97 -27.29 68.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 10.04 111.242 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.47 ' HE3' ' HB3' ' A' ' 30' ' ' LYS . 1.7 tmmt? -68.95 -47.08 66.54 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.237 -0.438 . . . . 16.38 111.048 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -72.28 -35.73 68.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 5.59 110.99 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.9 tp -63.64 -38.03 89.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.672 -0.695 . . . . 7.72 111.482 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.69 -15.57 77.51 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.788 -0.72 . . . . 6.93 113.689 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.7 m -71.28 -42.7 68.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.096 0.448 . . . . 9.63 111.15 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.525 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 25.9 t -76.48 -38.26 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 7.07 110.848 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 58.9 mtt -64.0 -29.74 70.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 10.12 111.707 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -64.96 -45.52 85.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.533 -0.303 . . . . 9.87 111.083 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.9 p -72.76 -7.31 50.02 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.25 -0.432 . . . . 8.15 111.717 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 62.7 mt -90.97 8.83 33.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.801 0.334 . . . . 12.78 110.854 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.91 4.19 84.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.87 -0.681 . . . . 9.6 112.605 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -103.07 156.86 17.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.715 0.293 . . . . 20.35 110.691 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -138.03 78.61 34.55 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.327 -0.397 . . . . 10.22 110.672 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -83.37 145.9 12.14 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.762 2.308 . . . . 8.63 112.502 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.9 p -88.7 -178.63 5.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 4.83 110.734 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -63.9 -46.47 84.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 16.78 110.985 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.64 84.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.104 -0.498 . . . . 4.8 111.903 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 51' ' ' MET . 45.2 mt-10 -70.12 -40.65 74.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.675 -0.238 . . . . 6.18 111.189 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.0 mt -65.89 -27.31 68.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 6.65 111.547 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -71.86 -42.54 66.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.415 -0.357 . . . . 7.05 110.733 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -65.53 -35.28 80.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.26 -0.427 . . . . 6.72 111.397 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 53.3 mtt -64.53 -34.55 78.49 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.342 -0.39 . . . . 13.6 111.294 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.4 mt -75.19 -35.81 35.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 8.71 111.29 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.468 ' HA ' ' HB3' ' A' ' 56' ' ' ASP . 92.7 m-20 -60.79 -23.94 65.41 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.1 -0.5 . . . . 9.04 112.218 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -52.07 -41.07 62.07 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.274 0.472 . . . . 23.58 112.274 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.673 HG11 ' HB2' ' A' ' 71' ' ' MET . 23.0 m -114.79 -5.9 11.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 111.802 0.297 . . . . 7.6 111.802 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.468 ' HB3' ' HA ' ' A' ' 53' ' ' ASN . 39.1 t70 -83.16 112.24 19.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.941 0.401 . . . . 12.55 110.94 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.11 8.33 2.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.96 -0.564 . . . . 15.13 110.801 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.448 ' HB2' ' OD1' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -100.46 -9.09 22.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 14.32 110.818 -179.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.49 46.29 7.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.864 -0.684 . . . . 13.64 113.22 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.448 ' OD1' ' HB2' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -120.43 -24.89 5.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.747 0.308 . . . . 13.27 110.896 179.473 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.02 13.27 83.23 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.949 -0.643 . . . . 11.65 113.179 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.7 p -130.68 176.83 7.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.98 0.419 . . . . 11.55 111.324 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.668 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 36.5 mt -117.08 102.01 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.99 -0.55 . . . . 10.06 110.585 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -72.94 -175.58 1.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.001 0.429 . . . . 11.33 111.741 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.429 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 26.1 t80 -62.72 -54.11 50.53 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.826 -0.624 . . . . 7.4 112.096 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.429 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 46.4 Cg_endo -68.27 -22.57 39.9 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 121.935 1.756 . . . . 6.66 112.608 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.39 -39.15 62.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.483 -0.326 . . . . 7.44 110.933 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.03 -40.6 62.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 8.58 110.975 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.9 mt -56.39 -45.89 80.36 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.332 -0.394 . . . . 9.43 111.392 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.5 m -67.81 -35.23 78.26 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.296 -0.411 . . . . 7.53 111.008 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.673 ' HB2' HG11 ' A' ' 55' ' ' VAL . 36.7 ttm -68.08 -47.37 68.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.93 -0.577 . . . . 11.86 111.457 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.44 ' HE3' ' HB3' ' A' ' 12' ' ' PHE . 71.4 mtm -68.33 -19.07 64.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 22.32 112.101 -179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.14 -36.29 61.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.861 0.362 . . . . 9.15 110.837 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -89.81 -7.65 53.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 13.8 112.397 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -110.22 -50.71 2.94 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.803 -0.359 . . . . 25.18 111.681 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 79.4 mtp -80.05 108.3 13.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 34.79 110.886 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.5 25.51 11.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.927 -0.579 . . . . 37.65 110.589 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 62.76 -99.06 0.08 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.754 0.659 . . . . 42.58 110.903 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.1 m -83.17 105.17 13.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.377 . . . . 38.4 110.09 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -86.41 -175.12 5.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 37.51 111.555 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.427 ' O ' HG13 ' A' ' 85' ' ' ILE . 88.0 p -80.41 174.51 11.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 33.12 111.062 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -64.44 -30.48 71.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.903 -0.589 . . . . 34.28 110.991 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -60.11 -45.64 92.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.539 -0.755 . . . . 30.91 111.35 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -79.11 -26.72 42.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.465 -0.334 . . . . 22.86 111.627 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 81' ' ' SER . 30.7 mt -62.82 -36.82 77.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 CA-C-N 116.545 -0.298 . . . . 19.17 111.554 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -70.71 -37.08 73.52 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.864 0.364 . . . . 26.85 110.9 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.73 -43.44 98.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.888 -0.596 . . . . 16.48 111.28 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.58 -24.4 56.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.57 -0.287 . . . . 9.91 111.694 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -66.16 -37.54 85.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.304 -0.407 . . . . 8.53 111.341 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -73.74 -11.29 60.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.458 . . . . 17.58 111.764 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 52.2 t -76.82 -46.78 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 7.82 110.995 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.825 ' HA ' HG21 ' A' ' 108' ' ' VAL . 73.6 m-85 -75.3 -23.65 57.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 9.11 110.67 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.655 ' HB2' HG12 ' A' ' 100' ' ' ILE . 26.1 t70 -105.58 82.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.931 -0.577 . . . . 11.11 110.186 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -78.98 -1.87 37.47 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.697 0.628 . . . . 14.57 112.697 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -93.93 -10.69 32.95 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.456 -0.498 . . . . 10.2 110.756 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.25 28.75 64.79 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 115.789 -0.641 . . . . 6.24 113.971 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -99.72 -13.08 19.46 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 117.355 0.577 . . . . 7.56 110.95 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.568 ' O ' ' HA ' ' A' ' 137' ' ' ASN . . . 95.87 -1.35 63.31 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.876 -0.678 . . . . 7.08 113.442 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.483 ' HB3' ' HB3' ' A' ' 135' ' ' GLN . 69.5 m-85 -123.1 129.96 52.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.129 0.464 . . . . 9.0 111.379 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.655 HG12 ' HB2' ' A' ' 93' ' ' ASP . 17.9 mt -112.64 105.74 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.002 -0.544 . . . . 9.29 111.028 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.3 p -87.06 -176.39 5.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.649 0.261 . . . . 7.02 110.667 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.04 -49.08 75.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.245 -0.434 . . . . 6.41 111.337 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.38 -49.46 69.8 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.174 -0.466 . . . . 5.01 111.837 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.93 -45.28 95.3 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.228 -0.442 . . . . 6.84 111.869 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 35.3 tp -63.77 -44.43 93.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 4.99 111.931 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 106' ' ' ARG . 27.8 ttt180 -63.46 -32.11 73.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.616 -0.265 . . . . 15.24 111.58 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -66.0 -46.53 77.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.451 -0.34 . . . . 15.69 111.009 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.825 HG21 ' HA ' ' A' ' 92' ' ' PHE . 20.8 t -68.58 -35.53 70.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 12.28 111.632 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.0 mmt -66.39 -45.01 81.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.634 -0.257 . . . . 9.53 111.333 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.0 m -66.77 -35.59 80.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.984 0.421 . . . . 11.87 110.894 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -67.68 -38.04 83.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.829 -0.623 . . . . 21.65 110.228 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.485 HD11 HD21 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -65.75 -24.74 67.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.662 -0.699 . . . . 19.55 111.327 178.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.19 -0.55 22.48 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 19.66 112.488 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -94.16 107.04 19.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.937 0.399 . . . . 25.55 110.486 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -85.19 118.89 25.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 23.26 110.972 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.05 162.53 34.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.984 -0.553 . . . . 23.07 111.346 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 32.0 p -86.32 177.77 7.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.804 -0.635 . . . . 19.41 110.832 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -69.99 -38.88 76.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 18.08 111.409 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -66.18 -32.83 74.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.418 -0.355 . . . . 20.16 111.783 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.92 -34.44 77.79 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.835 0.35 . . . . 14.19 110.802 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.79 -36.24 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.91 -0.586 . . . . 14.97 111.087 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -67.41 -24.55 65.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.165 -0.47 . . . . 20.12 111.077 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -78.02 -37.02 47.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 15.72 110.62 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 71.8 mtm -72.98 -32.03 64.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.168 -0.469 . . . . 9.75 110.86 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 16.6 mm -68.6 -47.48 76.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.034 -0.53 . . . . 11.99 111.578 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 126' ' ' ARG . 58.9 mtt180 -70.58 -17.39 62.91 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.607 -0.269 . . . . 27.23 111.684 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -68.83 -38.59 79.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.918 0.389 . . . . 15.5 110.749 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 140' ' ' GLU . . . -98.48 -14.55 19.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 10.5 111.514 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.38 131.45 41.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.032 0.444 . . . . 10.86 111.412 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 6.7 mt -107.06 -24.55 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.761 -0.654 . . . . 12.26 110.546 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -102.61 -9.3 20.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.958 -0.564 . . . . 7.79 111.444 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 56.61 56.3 25.38 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 121.047 -0.597 . . . . 3.93 112.95 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -115.5 0.59 13.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.709 0.29 . . . . 9.56 111.332 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 88.82 -7.95 80.76 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 120.764 -0.731 . . . . 7.32 113.105 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.483 ' HB3' ' HB3' ' A' ' 99' ' ' TYR . 98.5 mt-30 -120.99 142.01 50.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.812 0.339 . . . . 22.05 110.602 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.508 HG13 ' HB2' ' A' ' 140' ' ' GLU . 79.1 t -116.58 117.39 55.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.145 -0.48 . . . . 10.34 111.328 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.568 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 1.7 p30 -87.88 -171.09 3.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 12.02 110.818 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -67.1 -40.82 87.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.382 -0.372 . . . . 8.75 111.395 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.51 -42.53 96.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.371 -0.377 . . . . 22.33 111.018 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.508 ' HB2' HG13 ' A' ' 136' ' ' VAL . 82.3 mt-10 -73.69 -18.63 60.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.193 -0.458 . . . . 13.45 111.755 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.462 ' O ' ' HG2' ' A' ' 144' ' ' MET . 10.1 t80 -70.24 -42.35 72.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.073 0.463 . . . . 8.25 109.983 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.69 -28.35 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.635 -0.711 . . . . 10.15 110.214 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -56.9 -38.08 72.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.037 -0.983 . . . . 8.24 111.878 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' A' ' 141' ' ' PHE . 22.9 ptm -80.17 -14.72 58.24 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.608 0.242 . . . . 6.68 111.431 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 21.6 mmt -85.42 -15.75 42.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.003 0.43 . . . . 13.37 110.549 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 82.7 p -107.74 -24.85 11.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.884 -0.598 . . . . 10.78 110.834 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -155.32 125.92 6.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.97 -0.559 . . . . 18.52 111.01 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.197 -0.906 . . . . 23.42 110.899 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 999' ' ' ' TB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_