data_1vih_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 1vih _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 ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.816 0.341 . . . . 8.4499999999999993 110.453 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.415 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER 79.49 -54.55 0.41 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.003 -0.544 . . . . 7.0099999999999998 110.256 -179.499 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 7' ' ' ASN . 0.3 OUTLIER 35.99 -158.34 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.146 0.579 . . . . 7.46 111.867 179.568 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -129.07 123.1 31.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.047 -0.353 . . . . 3.2999999999999998 110.047 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.437 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 8.6 m-20 -82.48 143.08 31.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.486 -0.324 . . . . 1.55 110.361 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 58' ' ' GLU . 36.1 p90 -133.49 171.88 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.132 0.491 . . . . 1.1899999999999999 111.214 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.431 ' CG1' ' HG3' ' A' ' 68' ' ' LYS . 5.4 p -173.24 146.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.588 -0.733 . . . . 1.48 109.728 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.94 129.39 55.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.69 0.281 . . . . 2.0499999999999998 110.409 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.444 ' CG1' ' HB ' ' A' ' 55' ' ' ILE . 3.6 pt -98.02 123.29 50.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.371 -0.377 . . . . 1.24 110.171 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.57 98.33 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.912 -0.585 . . . . 2.2000000000000002 110.62 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 17' ' ' ASP . 35.2 mm -109.11 164.28 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.831 -0.622 . . . . 1.49 109.634 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.431 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -149.56 -65.65 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.631 0.253 . . . . 2.21 111.139 -179.558 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -178.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.959 0.409 . . . . 5.3799999999999999 110.799 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -73.48 64.05 0.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 4.3300000000000001 110.348 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.477 ' CE2' ' HB3' ' A' ' 75' ' ' ALA . 1.3 m-85 -84.0 -49.94 8.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.882 -0.599 . . . . 1.6200000000000001 110.574 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.428 ' ND1' HG21 ' A' ' 45' ' ' ILE . 14.3 m170 -45.6 -71.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.968 -0.56 . . . . 1.0900000000000001 111.397 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -44.45 -48.06 9.96 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.437 -0.347 . . . . 4.5700000000000003 111.05 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -59.14 -47.65 84.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.295 -0.412 . . . . 2.5699999999999998 110.627 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 mt -65.53 -61.08 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 1.8 110.94 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.42 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 5.4 pt -53.23 -25.37 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 1.9099999999999999 110.56 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.414 ' N ' HG13 ' A' ' 25' ' ' ILE . . . 70.7 -136.63 26.16 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.838 -0.905 . . . . 2.29 110.838 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -50.94 -70.8 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 4.8399999999999999 110.403 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.8 36.89 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 2.9900000000000002 110.317 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 25' ' ' ILE . . . 87.97 110.51 1.03 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.778 -0.929 . . . . 2.0499999999999998 110.778 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.63 -48.31 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 1.74 110.17 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.422 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 36.5 m-20 -52.64 -38.13 59.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 1.97 110.44 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.5 pt -50.89 -30.12 8.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.337 -0.392 . . . . 1.6899999999999999 110.385 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -85.33 -33.87 21.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 2.1699999999999999 110.379 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.401 ' O ' ' CB ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -56.44 -47.12 79.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 3.5600000000000001 110.245 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.424 HG21 ' CG2' ' A' ' 41' ' ' VAL . 5.2 mp -77.94 -48.18 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 1.9099999999999999 110.212 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 41' ' ' VAL . 0.4 OUTLIER -47.84 -30.19 3.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.375 . . . . 3.2000000000000002 110.532 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.15 -46.48 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 1.5600000000000001 110.384 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.401 ' CB ' ' O ' ' A' ' 34' ' ' ARG . 51.3 tp60 -59.44 -44.99 92.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 2.1099999999999999 110.362 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -102.99 4.19 37.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 1.27 111.341 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 51.37 39.64 24.67 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-O 120.989 0.423 . . . . 3.0099999999999998 110.193 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.424 ' CG2' HG21 ' A' ' 35' ' ' ILE . 14.8 m -114.43 -170.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.903 -0.589 . . . . 1.04 110.277 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.9 82.63 2.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 1.3400000000000001 110.435 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.407 HG21 ' CD1' ' A' ' 57' ' ' ILE . 4.3 p -91.58 126.57 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 1.8500000000000001 109.993 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -132.53 134.25 44.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.966 0.412 . . . . 2.8100000000000001 110.691 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.428 HG21 ' ND1' ' A' ' 21' ' ' HIS . 8.8 mm -97.26 112.51 61.14 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 115.947 -0.569 . . . . 1.23 109.724 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -76.66 124.39 7.54 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.328 2.019 . . . . 0.94999999999999996 111.079 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -82.1 -168.93 0.66 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.426 2.084 . . . . 1.53 112.826 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 42.96 93.82 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.715 -0.675 . . . . 3.0299999999999998 111.279 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.52 158.71 27.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.887 -0.597 . . . . 4.2800000000000002 109.407 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.09 -71.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.329 . . . . 4.9699999999999998 110.921 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -87.63 -73.79 0.47 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.176 -0.466 . . . . 5.2400000000000002 110.9 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.2 p -117.25 162.4 17.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.244 -0.435 . . . . 2.3900000000000001 110.68 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -112.63 162.04 16.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.858 -0.61 . . . . 1.73 110.121 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -165.66 111.55 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 2.0800000000000001 110.089 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.446 HD11 HG23 ' A' ' 55' ' ' ILE . 23.5 mt -84.31 149.75 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 1.0800000000000001 110.259 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -103.77 120.94 41.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 2.8199999999999998 110.612 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.503 HG22 HD11 ' A' ' 57' ' ' ILE . 16.8 mm -124.56 128.66 73.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.901 -0.59 . . . . 1.9199999999999999 109.932 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 10' ' ' ASP . 2.4 tt0 -151.42 136.62 17.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.039 0.447 . . . . 1.5600000000000001 110.463 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.471 ' N ' ' CG2' ' A' ' 64' ' ' VAL . . . -151.17 -129.99 1.64 Allowed Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.148 -1.181 . . . . 0.58999999999999997 110.148 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.463 ' CB ' ' CD ' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -149.65 -67.06 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.38 0 C-N-CA 120.878 -0.329 . . . . 2.6600000000000001 111.356 179.533 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' A' ' 60' ' ' ASP . 52.5 Cg_endo -75.27 -172.4 1.27 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 121.815 1.677 . . . . 2.2000000000000002 111.633 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 65' ' ' GLN . 86.9 mt-30 -52.98 -23.75 7.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.379 -0.373 . . . . 2.1600000000000001 110.127 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -47.88 -46.38 25.61 Favored Glycine 0 CA--C 1.526 0.733 0 CA-C-N 116.153 -0.476 . . . . 0.41999999999999998 112.165 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.471 ' CG2' ' N ' ' A' ' 59' ' ' GLY . 3.7 p -60.74 -42.64 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 117.345 0.572 . . . . 1.0700000000000001 111.186 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.428 ' N ' HG11 ' A' ' 64' ' ' VAL . 5.2 pt20 -75.55 -27.52 58.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 1.5600000000000001 110.558 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 65' ' ' GLN . 4.4 mm-40 -72.65 -55.8 6.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.399 . . . . 2.0299999999999998 110.067 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.38 -35.13 75.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.669 -0.493 . . . . 1.0900000000000001 109.669 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.431 ' HG3' ' CG1' ' A' ' 12' ' ' VAL . 4.3 tttt -58.4 -60.15 4.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.818 -0.628 . . . . 1.3999999999999999 110.111 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -33.63 75.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 3.5800000000000001 110.425 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -60.62 -37.97 83.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 1.5 110.417 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.8 mt -72.75 -47.98 42.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.6799999999999999 110.43 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 tp -59.37 -20.74 57.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.277 -0.419 . . . . 2.5600000000000001 110.889 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -101.25 -67.52 0.86 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.73 0.3 . . . . 2.0499999999999998 110.682 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 30.3 mt -74.72 -45.89 41.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.329 -0.396 . . . . 1.8200000000000001 110.704 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.477 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . . . 55.24 35.28 24.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 2.1600000000000001 110.279 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.396 -0.811 . . . . 4.7599999999999998 110.345 179.852 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.53 ' O ' ' ND2' ' A' ' 7' ' ' ASN . 1.1 pt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.816 0.341 . . . . 8.0999999999999996 110.453 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER 79.49 -54.55 0.41 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.003 -0.544 . . . . 6.3399999999999999 110.256 -179.499 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 7' ' ' ASN . 0.3 OUTLIER 35.99 -158.34 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.146 0.579 . . . . 6.7400000000000002 111.867 179.568 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -129.07 123.1 31.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.047 -0.353 . . . . 2.8199999999999998 110.047 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.437 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 8.6 m-20 -82.48 143.08 31.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.486 -0.324 . . . . 1.55 110.361 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 58' ' ' GLU . 36.1 p90 -133.49 171.88 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.132 0.491 . . . . 0.78000000000000003 111.214 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.43 HG13 ' HB ' ' A' ' 57' ' ' ILE . 5.4 p -173.24 146.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.588 -0.733 . . . . 0.81000000000000005 109.728 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.66 ' HB3' HD23 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -117.94 129.39 55.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.69 0.281 . . . . 2.0499999999999998 110.409 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.893 HG22 HD13 ' A' ' 72' ' ' LEU . 3.6 pt -98.02 123.29 50.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.371 -0.377 . . . . 0.64000000000000001 110.171 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.628 ' OD1' HD11 ' A' ' 54' ' ' LEU . 1.3 t30 -68.57 98.33 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.912 -0.585 . . . . 2.2000000000000002 110.62 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.595 HD12 ' CD2' ' A' ' 20' ' ' PHE . 35.2 mm -109.11 164.28 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.831 -0.622 . . . . 0.83999999999999997 109.634 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.516 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -149.56 -65.65 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.631 0.253 . . . . 2.21 111.139 -179.558 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -178.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.959 0.409 . . . . 4.8399999999999999 110.799 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -73.48 64.05 0.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 4.0300000000000002 110.348 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.595 ' CD2' HD12 ' A' ' 16' ' ' ILE . 1.3 m-85 -84.0 -49.94 8.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.882 -0.599 . . . . 1.26 110.574 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.511 ' CG ' HG23 ' A' ' 45' ' ' ILE . 14.3 m170 -45.6 -71.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.968 -0.56 . . . . 1.03 111.397 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -44.45 -48.06 9.96 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.437 -0.347 . . . . 3.9500000000000002 111.05 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -59.14 -47.65 84.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.295 -0.412 . . . . 2.0699999999999998 110.627 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 20' ' ' PHE . 2.8 mt -65.53 -61.08 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 1.25 110.94 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 26' ' ' GLY . 5.4 pt -53.23 -25.37 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 1.9099999999999999 110.56 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' N ' HG13 ' A' ' 25' ' ' ILE . . . 70.7 -136.63 26.16 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.838 -0.905 . . . . 2.29 110.838 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -50.94 -70.8 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 4.5099999999999998 110.403 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.8 36.89 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 2.5699999999999998 110.317 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 25' ' ' ILE . . . 87.97 110.51 1.03 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.778 -0.929 . . . . 2.0499999999999998 110.778 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.63 -48.31 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 1.4299999999999999 110.17 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.626 ' O ' HD12 ' A' ' 35' ' ' ILE . 36.5 m-20 -52.64 -38.13 59.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 1.9099999999999999 110.44 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.5 pt -50.89 -30.12 8.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.337 -0.392 . . . . 1.0700000000000001 110.385 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -85.33 -33.87 21.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 1.6200000000000001 110.379 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.401 ' O ' ' CB ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -56.44 -47.12 79.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 2.8999999999999999 110.245 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.626 HD12 ' O ' ' A' ' 31' ' ' ASN . 5.2 mp -77.94 -48.18 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 1.29 110.212 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 41' ' ' VAL . 0.4 OUTLIER -47.84 -30.19 3.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.375 . . . . 2.7599999999999998 110.532 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.15 -46.48 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 1.5600000000000001 110.384 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.401 ' CB ' ' O ' ' A' ' 34' ' ' ARG . 51.3 tp60 -59.44 -44.99 92.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 1.6599999999999999 110.362 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.497 ' CD1' HG23 ' A' ' 35' ' ' ILE . 72.0 m-85 -102.99 4.19 37.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.77000000000000002 111.341 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 51.37 39.64 24.67 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-O 120.989 0.423 . . . . 2.5600000000000001 110.193 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 64' ' ' VAL . 14.8 m -114.43 -170.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.903 -0.589 . . . . 0.33000000000000002 110.277 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.9 82.63 2.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.93000000000000005 110.435 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.799 HG23 ' CD1' ' A' ' 57' ' ' ILE . 4.3 p -91.58 126.57 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 1.25 109.993 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -132.53 134.25 44.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.966 0.412 . . . . 2.2799999999999998 110.691 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.511 HG23 ' CG ' ' A' ' 21' ' ' HIS . 8.8 mm -97.26 112.51 61.14 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 115.947 -0.569 . . . . 0.64000000000000001 109.724 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.403 ' HG3' ' O ' ' A' ' 54' ' ' LEU . 45.8 Cg_endo -76.66 124.39 7.54 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.328 2.019 . . . . 0.60999999999999999 111.079 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -82.1 -168.93 0.66 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.426 2.084 . . . . 1.53 112.826 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 42.96 93.82 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.715 -0.675 . . . . 3.0299999999999998 111.279 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.52 158.71 27.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.887 -0.597 . . . . 3.8100000000000001 109.407 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.09 -71.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.329 . . . . 4.9699999999999998 110.921 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -87.63 -73.79 0.47 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.176 -0.466 . . . . 4.8099999999999996 110.9 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.2 p -117.25 162.4 17.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.244 -0.435 . . . . 2.0299999999999998 110.68 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.804 ' O ' HD12 ' A' ' 54' ' ' LEU . 1.6 m-20 -112.63 162.04 16.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.858 -0.61 . . . . 1.6799999999999999 110.121 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -165.66 111.55 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 1.49 110.089 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.663 HD12 HD11 ' A' ' 14' ' ' ILE . 23.5 mt -84.31 149.75 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.34999999999999998 110.259 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -103.77 120.94 41.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 2.3300000000000001 110.612 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.799 ' CD1' HG23 ' A' ' 43' ' ' VAL . 16.8 mm -124.56 128.66 73.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.901 -0.59 . . . . 1.3200000000000001 109.932 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 10' ' ' ASP . 2.4 tt0 -151.42 136.62 17.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.039 0.447 . . . . 1.5600000000000001 110.463 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.568 ' N ' HG21 ' A' ' 64' ' ' VAL . . . -151.17 -129.99 1.64 Allowed Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.148 -1.181 . . . . 0.58999999999999997 110.148 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.485 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -149.65 -67.06 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.38 0 C-N-CA 120.878 -0.329 . . . . 2.6600000000000001 111.356 179.533 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.485 ' HD3' ' CB ' ' A' ' 60' ' ' ASP . 52.5 Cg_endo -75.27 -172.4 1.27 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 121.815 1.677 . . . . 1.8200000000000001 111.633 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 65' ' ' GLN . 86.9 mt-30 -52.98 -23.75 7.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.379 -0.373 . . . . 2.1400000000000001 110.127 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -47.88 -46.38 25.61 Favored Glycine 0 CA--C 1.526 0.733 0 CA-C-N 116.153 -0.476 . . . . 0.37 112.165 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.625 ' HA ' HG11 ' A' ' 41' ' ' VAL . 3.7 p -60.74 -42.64 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 117.345 0.572 . . . . 0.29999999999999999 111.186 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 66' ' ' GLN . 5.2 pt20 -75.55 -27.52 58.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 1.5600000000000001 110.558 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 65' ' ' GLN . 4.4 mm-40 -72.65 -55.8 6.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.399 . . . . 2.0299999999999998 110.067 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.571 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -60.38 -35.13 75.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.669 -0.493 . . . . 0.29999999999999999 109.669 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.429 ' HG3' ' CG1' ' A' ' 12' ' ' VAL . 4.3 tttt -58.4 -60.15 4.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.818 -0.628 . . . . 0.88 110.111 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -33.63 75.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 2.98 110.425 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -60.62 -37.97 83.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 1.5 110.417 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 67' ' ' ALA . 4.8 mt -72.75 -47.98 42.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.1499999999999999 110.43 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.893 HD13 HG22 ' A' ' 14' ' ' ILE . 2.0 tp -59.37 -20.74 57.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.277 -0.419 . . . . 1.99 110.889 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -101.25 -67.52 0.86 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.73 0.3 . . . . 2.0499999999999998 110.682 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 30.3 mt -74.72 -45.89 41.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.329 -0.396 . . . . 1.3200000000000001 110.704 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.42 ' CB ' ' CE2' ' A' ' 20' ' ' PHE . . . 55.24 35.28 24.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 2.1600000000000001 110.279 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.396 -0.811 . . . . 4.3600000000000003 110.345 179.852 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.816 0.341 . . . . 8.1 110.453 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.426 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER 79.49 -54.55 0.41 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.003 -0.544 . . . . 6.34 110.256 -179.499 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 7' ' ' ASN . 0.3 OUTLIER 35.99 -158.34 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.146 0.579 . . . . 6.74 111.867 179.568 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -129.07 123.1 31.39 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.047 -0.353 . . . . 2.82 110.047 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.437 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 8.6 m-20 -82.48 143.08 31.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.486 -0.324 . . . . 1.55 110.361 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 58' ' ' GLU . 36.1 p90 -133.49 171.88 13.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.132 0.491 . . . . 0.78 111.214 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.43 HG13 ' HB ' ' A' ' 57' ' ' ILE . 5.4 p -173.24 146.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.588 -0.733 . . . . 0.81 109.728 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.66 ' HB3' HD23 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -117.94 129.39 55.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.69 0.281 . . . . 2.05 110.409 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.893 HG22 HD13 ' A' ' 72' ' ' LEU . 3.6 pt -98.02 123.29 50.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.371 -0.377 . . . . 0.64 110.171 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.778 ' ND2' HD11 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -68.57 98.33 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.912 -0.585 . . . . 2.2 110.62 -179.73 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.595 HD12 ' CD2' ' A' ' 20' ' ' PHE . 35.2 mm -109.11 164.28 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.831 -0.622 . . . . 0.84 109.634 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.516 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -149.56 -65.65 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.631 0.253 . . . . 2.21 111.139 -179.558 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -178.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.959 0.409 . . . . 4.84 110.799 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -73.48 64.05 0.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 4.03 110.348 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.595 ' CD2' HD12 ' A' ' 16' ' ' ILE . 1.3 m-85 -84.0 -49.94 8.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.882 -0.599 . . . . 1.26 110.574 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.511 ' CG ' HG23 ' A' ' 45' ' ' ILE . 14.3 m170 -45.6 -71.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.968 -0.56 . . . . 1.03 111.397 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -44.45 -48.06 9.96 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.437 -0.347 . . . . 3.95 111.05 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -59.14 -47.65 84.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.295 -0.412 . . . . 2.07 110.627 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 20' ' ' PHE . 2.8 mt -65.53 -61.08 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 1.25 110.94 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.42 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 5.4 pt -53.23 -25.37 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.774 0.321 . . . . 1.91 110.56 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' N ' HG13 ' A' ' 25' ' ' ILE . . . 70.7 -136.63 26.16 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.838 -0.905 . . . . 2.29 110.838 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -50.94 -70.8 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 4.51 110.403 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.8 36.89 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 2.57 110.317 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 25' ' ' ILE . . . 87.97 110.51 1.03 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.778 -0.929 . . . . 2.05 110.778 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.63 -48.31 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 1.43 110.17 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.626 ' O ' HD12 ' A' ' 35' ' ' ILE . 36.5 m-20 -52.64 -38.13 59.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 1.91 110.44 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.5 pt -50.89 -30.12 8.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.337 -0.392 . . . . 1.07 110.385 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -85.33 -33.87 21.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 1.62 110.379 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.401 ' O ' ' CB ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -56.44 -47.12 79.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 2.9 110.245 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.626 HD12 ' O ' ' A' ' 31' ' ' ASN . 5.2 mp -77.94 -48.18 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 1.29 110.212 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 41' ' ' VAL . 0.4 OUTLIER -47.84 -30.19 3.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.375 . . . . 2.76 110.532 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.15 -46.48 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 1.56 110.384 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.401 ' CB ' ' O ' ' A' ' 34' ' ' ARG . 51.3 tp60 -59.44 -44.99 92.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 1.66 110.362 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.497 ' CD1' HG23 ' A' ' 35' ' ' ILE . 72.0 m-85 -102.99 4.19 37.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.77 111.341 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 51.37 39.64 24.67 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-O 120.989 0.423 . . . . 2.56 110.193 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 64' ' ' VAL . 14.8 m -114.43 -170.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.903 -0.589 . . . . 0.33 110.277 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.9 82.63 2.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.93 110.435 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.799 HG23 ' CD1' ' A' ' 57' ' ' ILE . 4.3 p -91.58 126.57 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 1.25 109.993 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -132.53 134.25 44.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.966 0.412 . . . . 2.28 110.691 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.511 HG23 ' CG ' ' A' ' 21' ' ' HIS . 8.8 mm -97.26 112.51 61.14 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 115.947 -0.569 . . . . 0.64 109.724 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.403 ' HG3' ' O ' ' A' ' 54' ' ' LEU . 45.8 Cg_endo -76.66 124.39 7.54 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.328 2.019 . . . . 0.61 111.079 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -82.1 -168.93 0.66 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.426 2.084 . . . . 1.53 112.826 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 42.96 93.82 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.715 -0.675 . . . . 3.03 111.279 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.52 158.71 27.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.887 -0.597 . . . . 3.81 109.407 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.09 -71.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.329 . . . . 4.97 110.921 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -87.63 -73.79 0.47 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.176 -0.466 . . . . 4.81 110.9 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.2 p -117.25 162.4 17.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.244 -0.435 . . . . 2.03 110.68 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.804 ' O ' HD12 ' A' ' 54' ' ' LEU . 1.6 m-20 -112.63 162.04 16.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.858 -0.61 . . . . 1.68 110.121 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -165.66 111.55 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 1.49 110.089 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.663 HD12 HD11 ' A' ' 14' ' ' ILE . 23.5 mt -84.31 149.75 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.35 110.259 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -103.77 120.94 41.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 2.33 110.612 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.799 ' CD1' HG23 ' A' ' 43' ' ' VAL . 16.8 mm -124.56 128.66 73.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.901 -0.59 . . . . 1.32 109.932 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 10' ' ' ASP . 2.4 tt0 -151.42 136.62 17.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.039 0.447 . . . . 1.56 110.463 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.568 ' N ' HG21 ' A' ' 64' ' ' VAL . . . -151.17 -129.99 1.64 Allowed Glycine 0 CA--C 1.519 0.341 0 N-CA-C 110.148 -1.181 . . . . 0.59 110.148 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.485 ' CB ' ' HD3' ' A' ' 61' ' ' PRO . 0.2 OUTLIER -149.65 -67.06 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.38 0 C-N-CA 120.878 -0.329 . . . . 2.66 111.356 179.533 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.485 ' HD3' ' CB ' ' A' ' 60' ' ' ASP . 52.5 Cg_endo -75.27 -172.4 1.27 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 121.815 1.677 . . . . 1.82 111.633 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 65' ' ' GLN . 86.9 mt-30 -52.98 -23.75 7.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.379 -0.373 . . . . 2.14 110.127 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -47.88 -46.38 25.61 Favored Glycine 0 CA--C 1.526 0.733 0 CA-C-N 116.153 -0.476 . . . . 0.37 112.165 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.625 ' HA ' HG11 ' A' ' 41' ' ' VAL . 3.7 p -60.74 -42.64 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 CA-C-N 117.345 0.572 . . . . 0.3 111.186 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 66' ' ' GLN . 5.2 pt20 -75.55 -27.52 58.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.767 0.318 . . . . 1.56 110.558 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 65' ' ' GLN . 4.4 mm-40 -72.65 -55.8 6.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.399 . . . . 2.03 110.067 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.571 ' HB1' HG21 ' A' ' 35' ' ' ILE . . . -60.38 -35.13 75.0 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.669 -0.493 . . . . 0.3 109.669 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.429 ' HG3' ' CG1' ' A' ' 12' ' ' VAL . 4.3 tttt -58.4 -60.15 4.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.818 -0.628 . . . . 0.88 110.111 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -33.63 75.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.441 . . . . 2.98 110.425 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -60.62 -37.97 83.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 1.5 110.417 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 67' ' ' ALA . 4.8 mt -72.75 -47.98 42.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.15 110.43 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.893 HD13 HG22 ' A' ' 14' ' ' ILE . 2.0 tp -59.37 -20.74 57.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.277 -0.419 . . . . 1.99 110.889 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -101.25 -67.52 0.86 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.73 0.3 . . . . 2.05 110.682 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 30.3 mt -74.72 -45.89 41.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.329 -0.396 . . . . 1.32 110.704 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.42 ' CB ' ' CE2' ' A' ' 20' ' ' PHE . . . 55.24 35.28 24.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 2.16 110.279 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.396 -0.811 . . . . 4.36 110.345 179.852 . . . . . . . . 0 0 . 1 stop_ save_