data_1k1z_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 1k1z _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 1' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.883 0.373 . . . . 22.600000000000001 111.239 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.18 38.94 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 17.07 111.005 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -68.75 139.1 55.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 16.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.22 32.19 18.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.095 -0.502 . . . . 13.529999999999999 111.064 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.89 -17.18 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 17.350000000000001 110.77 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.35 -27.38 5.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 15.33 110.682 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.55 110.13 18.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 12.16 110.732 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -122.89 113.37 19.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 10.279999999999999 110.97 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.408 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -120.96 83.81 2.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.127 -0.488 . . . . 7.7800000000000002 110.801 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.3 70.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 6.3200000000000003 110.988 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.48 16.17 64.71 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.75 -0.738 . . . . 3.3799999999999999 112.582 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 3.7 mm? -89.85 133.23 34.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.544 0.211 . . . . 3.5699999999999998 110.892 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 12' ' ' LEU . 31.2 Cg_exo -59.75 146.77 94.65 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.538 2.159 . . . . 1.6000000000000001 112.072 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -142.27 138.73 31.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 2.1099999999999999 110.856 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.615 ' O ' ' HA ' ' A' ' 42' ' ' ILE . 1.6 mtt -141.05 150.0 42.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.425 -0.352 . . . . 1.6899999999999999 110.977 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -108.11 122.28 46.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.994 0.426 . . . . 1.8899999999999999 110.45 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.464 ' HA ' HG11 ' A' ' 73' ' ' VAL . 5.8 t -64.19 141.94 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.994 -0.548 . . . . 1.1399999999999999 111.225 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -105.39 -30.31 9.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.992 -0.549 . . . . 4.3499999999999996 110.866 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.519 ' NE2' ' HB3' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -103.95 169.27 8.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 2.8199999999999998 111.002 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.509 ' HB3' ' HD3' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -121.2 90.42 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 1.95 111.007 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.518 ' HB2' HD13 ' A' ' 37' ' ' LEU . 4.8 m-30 -100.38 138.86 36.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 1.51 110.953 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -122.06 61.42 0.96 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 2.2000000000000002 110.882 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.11 7.62 88.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.958 -0.639 . . . . 0.56999999999999995 112.656 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.455 HG21 ' HA ' ' A' ' 25' ' ' PRO . 41.0 mm -135.75 132.92 19.74 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.4 0.143 . . . . 2.1299999999999999 110.801 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.455 ' HA ' HG21 ' A' ' 24' ' ' ILE . 97.2 Cg_endo -85.55 145.05 37.9 Favored 'Cis proline' 0 C--N 1.348 0.55 0 C-N-CA 123.701 -1.375 . . . . 1.1599999999999999 112.549 0.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 22.4 Cg_exo -64.13 153.62 75.26 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.608 2.205 . . . . 1.1399999999999999 112.122 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 15.1 Cg_exo -68.91 147.59 68.63 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.651 2.234 . . . . 0.81000000000000005 112.141 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.89 146.88 33.69 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.547 2.165 . . . . 1.3799999999999999 112.621 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.08 -169.54 7.51 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.964 -0.636 . . . . 1.8700000000000001 112.65 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.31 82.97 5.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 2.4300000000000002 111.106 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -108.95 -40.36 5.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 1.3300000000000001 110.906 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.19 171.81 20.21 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.812 -0.708 . . . . 1.51 112.46 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.16 159.13 53.03 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.66 -0.781 . . . . 1.26 112.438 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -85.66 162.45 18.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 0.52000000000000002 110.821 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.716 HD21 ' HB2' ' A' ' 59' ' ' ASN . 5.3 tp -119.87 140.95 50.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 1.03 110.951 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -77.47 112.56 14.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 3.96 110.665 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.518 HD13 ' HB2' ' A' ' 21' ' ' TYR . 0.7 OUTLIER -109.67 135.36 50.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 2.0699999999999998 111.18 -179.752 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -132.33 144.52 53.41 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 2.4700000000000002 110.774 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 20' ' ' GLU . 31.7 Cg_exo -58.49 92.39 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.534 2.156 . . . . 0.68999999999999995 112.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.99 12.63 1.67 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.735 -0.745 . . . . 0.34000000000000002 112.172 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -105.8 133.86 49.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.899 0.381 . . . . 1.53 111.037 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.615 ' HA ' ' O ' ' A' ' 15' ' ' MET . 38.3 mm -91.84 129.37 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.554 . . . . 1.55 110.891 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.424 HG23 ' N ' ' A' ' 44' ' ' GLU . 2.6 p -125.06 141.63 44.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 2.04 110.928 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.424 ' N ' HG23 ' A' ' 43' ' ' VAL . 5.7 mt-10 -97.67 138.13 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.946 -0.57 . . . . 2.1200000000000001 110.914 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.5 mt -71.38 99.48 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 2.2200000000000002 110.825 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.8 p -75.84 -56.84 4.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 1.2 111.25 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -141.69 123.43 15.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 2.6899999999999999 110.982 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -119.47 142.25 48.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 1.21 111.076 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -122.95 171.66 9.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 1.97 111.052 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.18 -42.28 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 1.1699999999999999 111.259 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.79 12.58 16.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 2.6000000000000001 111.091 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -117.4 134.67 54.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 1.6299999999999999 111.073 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -84.98 6.52 24.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 1.96 110.82 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -132.22 144.27 50.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.64000000000000001 110.688 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 18.7 m-90 -128.04 156.82 42.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.37 111.144 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.37 144.77 37.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 1.5600000000000001 111.086 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 65' ' ' VAL . . . -149.23 179.51 25.97 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.895 -0.669 . . . . 0.38 112.281 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -136.29 116.63 13.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.9 0.381 . . . . 3.1000000000000001 111.209 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.716 ' HB2' HD21 ' A' ' 35' ' ' LEU . 8.2 t-20 -77.64 136.17 38.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 1.23 110.694 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.7 t -81.9 -14.08 56.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.273 -0.422 . . . . 1.97 111.096 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.71 -41.35 14.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 1.3 111.241 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.5 -15.02 20.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 1.47 111.312 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 56.25 42.2 28.27 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.178 -0.465 . . . . 2.0699999999999998 111.092 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.17 156.54 45.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 1.99 110.774 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 13.9 m -104.89 148.71 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.317 -0.401 . . . . 1.73 111.286 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.15 171.48 36.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.875 -0.678 . . . . 0.32000000000000001 112.525 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -100.27 138.32 37.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.40000000000000002 110.916 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -167.92 157.27 8.82 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 0.58999999999999997 110.835 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.3 145.71 54.77 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.724 2.283 . . . . 0.38 112.322 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -27.4 58.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 1.71 111.082 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.88 -31.65 66.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 2.6499999999999999 111.23 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.519 ' HB3' ' NE2' ' A' ' 19' ' ' GLN . 0.2 OUTLIER -64.38 -13.23 49.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 3.02 111.195 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.464 HG11 ' HA ' ' A' ' 17' ' ' VAL . 29.5 m -125.67 164.08 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.878 0.371 . . . . 1.1100000000000001 111.28 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -131.88 136.01 27.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.973 -0.558 . . . . 3.8399999999999999 110.512 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.2 132.83 52.58 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.68 2.253 . . . . 1.1000000000000001 112.446 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.499 ' H ' ' HA ' ' A' ' 15' ' ' MET . 73.9 t80 -68.45 -43.04 77.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.011 -0.54 . . . . 1.47 111.064 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.0 p -151.89 142.31 15.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 3.1499999999999999 111.143 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.179 -0.915 . . . . 6.4900000000000002 110.947 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.883 0.373 . . . . 22.039999999999999 111.239 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.18 38.94 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 16.960000000000001 111.005 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -68.75 139.1 55.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 15.91 110.996 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.22 32.19 18.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.095 -0.502 . . . . 13.210000000000001 111.064 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.89 -17.18 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 17.010000000000002 110.77 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.35 -27.38 5.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 14.98 110.682 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.401 ' HD3' HH11 ' A' ' 7' ' ' ARG . 0.0 OUTLIER -84.55 110.13 18.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 11.609999999999999 110.732 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -122.89 113.37 19.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 9.6199999999999992 110.97 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.429 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -120.96 83.81 2.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.127 -0.488 . . . . 7.7800000000000002 110.801 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.3 70.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 5.7199999999999998 110.988 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.48 16.17 64.71 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.75 -0.738 . . . . 3.0800000000000001 112.582 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.427 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 3.7 mm? -89.85 133.23 34.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.544 0.211 . . . . 3.1400000000000001 110.892 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 12' ' ' LEU . 31.2 Cg_exo -59.75 146.77 94.65 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.538 2.159 . . . . 1.0600000000000001 112.072 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -142.27 138.73 31.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 1.5800000000000001 110.856 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.622 ' O ' ' HA ' ' A' ' 42' ' ' ILE . 1.6 mtt -141.05 150.0 42.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.425 -0.352 . . . . 1.1100000000000001 110.977 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -108.11 122.28 46.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.994 0.426 . . . . 1.78 110.45 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.628 HG11 ' HB3' ' A' ' 37' ' ' LEU . 5.8 t -64.19 141.94 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.994 -0.548 . . . . 0.34000000000000002 111.225 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -105.39 -30.31 9.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.992 -0.549 . . . . 3.4199999999999999 110.866 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 37' ' ' LEU . 0.9 OUTLIER -103.95 169.27 8.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 2.8199999999999998 111.002 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.535 ' HB3' ' HD3' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -121.2 90.42 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 1.95 111.007 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -100.38 138.86 36.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 1.1599999999999999 110.953 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -122.06 61.42 0.96 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 1.98 110.882 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.11 7.62 88.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.958 -0.639 . . . . 0.56000000000000005 112.656 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 41.0 mm -135.75 132.92 19.74 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.4 0.143 . . . . 1.5700000000000001 110.801 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 97.2 Cg_endo -85.55 145.05 37.9 Favored 'Cis proline' 0 C--N 1.348 0.55 0 C-N-CA 123.701 -1.375 . . . . 0.97999999999999998 112.549 0.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 22.4 Cg_exo -64.13 153.62 75.26 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.608 2.205 . . . . 0.80000000000000004 112.122 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 15.1 Cg_exo -68.91 147.59 68.63 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.651 2.234 . . . . 0.47999999999999998 112.141 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.89 146.88 33.69 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.547 2.165 . . . . 1.03 112.621 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.08 -169.54 7.51 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.964 -0.636 . . . . 1.8700000000000001 112.65 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.31 82.97 5.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 1.97 111.106 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -108.95 -40.36 5.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 1.26 110.906 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.19 171.81 20.21 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.812 -0.708 . . . . 1.51 112.46 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.16 159.13 53.03 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.66 -0.781 . . . . 0.57999999999999996 112.438 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -85.66 162.45 18.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 0.41999999999999998 110.821 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.639 HD21 ' HB2' ' A' ' 59' ' ' ASN . 5.3 tp -119.87 140.95 50.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.39000000000000001 110.951 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -77.47 112.56 14.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 3.3900000000000001 110.665 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.628 ' HB3' HG11 ' A' ' 17' ' ' VAL . 0.7 OUTLIER -109.67 135.36 50.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 1.48 111.18 -179.752 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -132.33 144.52 53.41 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 2.0899999999999999 110.774 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.535 ' HD3' ' HB3' ' A' ' 20' ' ' GLU . 31.7 Cg_exo -58.49 92.39 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.534 2.156 . . . . 0.41999999999999998 112.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.99 12.63 1.67 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.735 -0.745 . . . . 0.29999999999999999 112.172 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -105.8 133.86 49.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.899 0.381 . . . . 1.53 111.037 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.622 ' HA ' ' O ' ' A' ' 15' ' ' MET . 38.3 mm -91.84 129.37 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.554 . . . . 0.81999999999999995 110.891 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.06 141.63 44.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 1.4099999999999999 110.928 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -97.67 138.13 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.946 -0.57 . . . . 2.1200000000000001 110.914 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.424 HD11 ' HE2' ' A' ' 15' ' ' MET . 82.5 mt -71.38 99.48 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 1.5800000000000001 110.825 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.8 p -75.84 -56.84 4.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.40000000000000002 111.25 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -141.69 123.43 15.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 2.2599999999999998 110.982 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -119.47 142.25 48.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.37 111.076 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -122.95 171.66 9.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 1.97 111.052 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.18 -42.28 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.46999999999999997 111.259 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.79 12.58 16.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 2.6000000000000001 111.091 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -117.4 134.67 54.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 0.96999999999999997 111.073 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -84.98 6.52 24.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 1.53 110.82 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -132.22 144.27 50.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.54000000000000004 110.688 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 18.7 m-90 -128.04 156.82 42.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.34999999999999998 111.144 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.37 144.77 37.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 1.5600000000000001 111.086 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.23 179.51 25.97 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.895 -0.669 . . . . 0.38 112.281 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.484 ' HB2' HG12 ' A' ' 65' ' ' VAL . 41.1 ttp180 -136.29 116.63 13.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.9 0.381 . . . . 2.6499999999999999 111.209 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.639 ' HB2' HD21 ' A' ' 35' ' ' LEU . 8.2 t-20 -77.64 136.17 38.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 1.23 110.694 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 42' ' ' ILE . 7.7 t -81.9 -14.08 56.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.273 -0.422 . . . . 1.28 111.096 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.71 -41.35 14.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.52000000000000002 111.241 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.5 -15.02 20.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.80000000000000004 111.312 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 56.25 42.2 28.27 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.178 -0.465 . . . . 1.49 111.092 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.408 ' O ' HD13 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -141.17 156.54 45.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 1.99 110.774 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.484 HG12 ' HB2' ' A' ' 58' ' ' ARG . 13.9 m -104.89 148.71 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.317 -0.401 . . . . 1.0800000000000001 111.286 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.15 171.48 36.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.875 -0.678 . . . . 0.32000000000000001 112.525 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -100.27 138.32 37.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.34000000000000002 110.916 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -167.92 157.27 8.82 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 0.46000000000000002 110.835 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.3 145.71 54.77 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.724 2.283 . . . . 0.33000000000000002 112.322 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -27.4 58.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 1.0600000000000001 111.082 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.88 -31.65 66.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 2.0699999999999998 111.23 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.38 -13.23 49.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 2.5800000000000001 111.195 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 17' ' ' VAL . 29.5 m -125.67 164.08 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.878 0.371 . . . . 0.33000000000000002 111.28 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -131.88 136.01 27.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.973 -0.558 . . . . 2.8999999999999999 110.512 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.2 132.83 52.58 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.68 2.253 . . . . 0.71999999999999997 112.446 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.504 ' H ' ' HA ' ' A' ' 15' ' ' MET . 73.9 t80 -68.45 -43.04 77.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.011 -0.54 . . . . 1.1100000000000001 111.064 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.0 p -151.89 142.31 15.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 2.6299999999999999 111.143 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.179 -0.915 . . . . 5.6799999999999997 110.947 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.883 0.373 . . . . 22.04 111.239 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.18 38.94 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 16.96 111.005 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -68.75 139.1 55.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 15.91 110.996 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.22 32.19 18.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.095 -0.502 . . . . 13.21 111.064 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.89 -17.18 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 17.01 110.77 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.35 -27.38 5.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 14.98 110.682 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.401 ' HD3' HH11 ' A' ' 7' ' ' ARG . 0.0 OUTLIER -84.55 110.13 18.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 11.61 110.732 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -122.89 113.37 19.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 9.62 110.97 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.429 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -120.96 83.81 2.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.127 -0.488 . . . . 7.78 110.801 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.3 70.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 5.72 110.988 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.48 16.17 64.71 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.75 -0.738 . . . . 3.08 112.582 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.427 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 3.7 mm? -89.85 133.23 34.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 120.544 0.211 . . . . 3.14 110.892 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 12' ' ' LEU . 31.2 Cg_exo -59.75 146.77 94.65 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.538 2.159 . . . . 1.06 112.072 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -142.27 138.73 31.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 1.58 110.856 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.622 ' O ' ' HA ' ' A' ' 42' ' ' ILE . 1.6 mtt -141.05 150.0 42.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.425 -0.352 . . . . 1.11 110.977 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -108.11 122.28 46.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.994 0.426 . . . . 1.78 110.45 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.628 HG11 ' HB3' ' A' ' 37' ' ' LEU . 5.8 t -64.19 141.94 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.994 -0.548 . . . . 0.34 111.225 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -105.39 -30.31 9.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.992 -0.549 . . . . 3.42 110.866 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.523 ' NE2' ' HB3' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -103.95 169.27 8.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 2.82 111.002 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.535 ' HB3' ' HD3' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -121.2 90.42 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 1.95 111.007 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -100.38 138.86 36.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 1.16 110.953 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -122.06 61.42 0.96 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 1.98 110.882 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.11 7.62 88.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.958 -0.639 . . . . 0.56 112.656 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 41.0 mm -135.75 132.92 19.74 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 120.4 0.143 . . . . 1.57 110.801 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . 97.2 Cg_endo -85.55 145.05 37.9 Favored 'Cis proline' 0 C--N 1.348 0.55 0 C-N-CA 123.701 -1.375 . . . . 0.98 112.549 0.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 22.4 Cg_exo -64.13 153.62 75.26 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.608 2.205 . . . . 0.8 112.122 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 26' ' ' PRO . 15.1 Cg_exo -68.91 147.59 68.63 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.651 2.234 . . . . 0.48 112.141 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.89 146.88 33.69 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.547 2.165 . . . . 1.03 112.621 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.08 -169.54 7.51 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.964 -0.636 . . . . 1.87 112.65 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.31 82.97 5.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 1.97 111.106 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -108.95 -40.36 5.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 1.26 110.906 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 152.19 171.81 20.21 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.812 -0.708 . . . . 1.51 112.46 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.16 159.13 53.03 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.66 -0.781 . . . . 0.58 112.438 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -85.66 162.45 18.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 0.42 110.821 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.639 HD21 ' HB2' ' A' ' 59' ' ' ASN . 5.3 tp -119.87 140.95 50.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.39 110.951 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -77.47 112.56 14.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 3.39 110.665 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.628 ' HB3' HG11 ' A' ' 17' ' ' VAL . 0.7 OUTLIER -109.67 135.36 50.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 1.48 111.18 -179.752 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -132.33 144.52 53.41 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 2.09 110.774 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.535 ' HD3' ' HB3' ' A' ' 20' ' ' GLU . 31.7 Cg_exo -58.49 92.39 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.534 2.156 . . . . 0.42 112.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.99 12.63 1.67 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.735 -0.745 . . . . 0.3 112.172 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -105.8 133.86 49.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.899 0.381 . . . . 1.53 111.037 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.622 ' HA ' ' O ' ' A' ' 15' ' ' MET . 38.3 mm -91.84 129.37 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.554 . . . . 0.82 110.891 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.06 141.63 44.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 1.41 110.928 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -97.67 138.13 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.946 -0.57 . . . . 2.12 110.914 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.424 HD11 ' HE2' ' A' ' 15' ' ' MET . 82.5 mt -71.38 99.48 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 1.58 110.825 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 71.8 p -75.84 -56.84 4.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.4 111.25 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -141.69 123.43 15.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 2.26 110.982 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -119.47 142.25 48.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.37 111.076 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -122.95 171.66 9.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 1.97 111.052 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.18 -42.28 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.47 111.259 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.79 12.58 16.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 2.6 111.091 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -117.4 134.67 54.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.227 -0.442 . . . . 0.97 111.073 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -84.98 6.52 24.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 1.53 110.82 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -132.22 144.27 50.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.54 110.688 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 18.7 m-90 -128.04 156.82 42.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.35 111.144 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.37 144.77 37.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 1.56 111.086 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.23 179.51 25.97 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.895 -0.669 . . . . 0.38 112.281 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.484 ' HB2' HG12 ' A' ' 65' ' ' VAL . 41.1 ttp180 -136.29 116.63 13.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.9 0.381 . . . . 2.65 111.209 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.639 ' HB2' HD21 ' A' ' 35' ' ' LEU . 8.2 t-20 -77.64 136.17 38.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 1.23 110.694 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 42' ' ' ILE . 7.7 t -81.9 -14.08 56.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.273 -0.422 . . . . 1.28 111.096 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.71 -41.35 14.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.52 111.241 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.5 -15.02 20.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.8 111.312 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 56.25 42.2 28.27 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.178 -0.465 . . . . 1.49 111.092 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.408 ' O ' HD13 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -141.17 156.54 45.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 1.99 110.774 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.484 HG12 ' HB2' ' A' ' 58' ' ' ARG . 13.9 m -104.89 148.71 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.317 -0.401 . . . . 1.08 111.286 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.15 171.48 36.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.875 -0.678 . . . . 0.32 112.525 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -100.27 138.32 37.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.34 110.916 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -167.92 157.27 8.82 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 0.46 110.835 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.3 145.71 54.77 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.724 2.283 . . . . 0.33 112.322 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -27.4 58.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 1.06 111.082 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.88 -31.65 66.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 2.07 111.23 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.523 ' HB3' ' NE2' ' A' ' 19' ' ' GLN . 0.2 OUTLIER -64.38 -13.23 49.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 2.58 111.195 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 17' ' ' VAL . 29.5 m -125.67 164.08 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.878 0.371 . . . . 0.33 111.28 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -131.88 136.01 27.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.973 -0.558 . . . . 2.9 110.512 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.2 132.83 52.58 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.68 2.253 . . . . 0.72 112.446 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.504 ' H ' ' HA ' ' A' ' 15' ' ' MET . 73.9 t80 -68.45 -43.04 77.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.011 -0.54 . . . . 1.11 111.064 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.0 p -151.89 142.31 15.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 2.63 111.143 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.179 -0.915 . . . . 5.68 110.947 -179.85 . . . . . . . . 1 1 . 1 stop_ save_