data_1z2g_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 1z2g _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 ' 1' ' ' MET . . . . . . . . . . . . . 93.5 mtp . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 108.198 -1.038 . . . . 10.0 108.198 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.85 -53.34 9.88 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.07 1.348 . . . . 10.0 111.0 -178.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -67.24 -24.92 65.87 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.69 0.626 . . . . 10.0 112.69 -177.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -61.13 -38.57 86.85 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 171.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -79.07 -78.73 0.14 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.549 0.739 . . . . 10.0 110.193 175.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.89 82.93 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.595 0.961 . . . . 10.0 113.595 -156.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -122.7 -93.88 0.51 Allowed 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.3 2.24 . . . . 10.0 105.719 165.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -144.06 168.36 20.18 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 105.165 -2.161 . . . . 10.0 105.165 157.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.0 -62.01 1.36 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.346 1.059 . . . . 10.0 109.373 174.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 66.34 43.01 2.81 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.66 1.584 . . . . 10.0 110.013 -175.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -87.0 -55.74 3.69 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.597 1.159 . . . . 10.0 108.486 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -137.04 121.12 17.79 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 123.737 0.815 . . . . 10.0 110.407 -171.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -88.68 -40.24 13.43 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.937 0.495 . . . . 10.0 109.737 167.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.18 76.27 3.0 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.052 0.541 . . . . 10.0 109.76 -176.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -69.83 63.56 0.2 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.024 1.73 . . . . 10.0 111.442 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.0 p -67.0 -31.67 72.38 Favored 'General case' 0 C--O 1.231 0.12 0 O-C-N 121.3 -0.875 . . . . 10.0 113.037 -171.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.68 69.86 6.07 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.434 -0.792 . . . . 10.0 111.01 -175.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -66.61 74.75 0.1 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.999 0.919 . . . . 10.0 110.022 172.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -146.08 93.03 5.19 Favored Pre-proline 0 N--CA 1.448 -0.525 0 C-N-CA 125.955 1.702 . . . . 10.0 106.582 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.04 147.11 88.65 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 121.55 1.5 . . . . 10.0 109.601 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -128.05 88.58 52.61 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 124.503 1.121 . . . . 10.0 108.719 -172.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -58.84 -29.16 89.28 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 123.725 2.95 . . . . 10.0 114.031 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 88.8 m 74.33 166.77 0.29 Allowed 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 126.05 1.74 . . . . 10.0 110.806 -170.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.3 m 57.43 -91.21 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.982 1.313 . . . . 10.0 110.113 -168.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.6 m 36.29 -132.46 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.917 1.287 . . . . 10.0 109.962 -166.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 t -169.65 35.58 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.551 1.069 . . . . 10.0 112.862 160.54 -149.539 67.141 77.26 103.381 2.084 98.857 -175.307 -101.52 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -55.83 -68.4 0.56 Allowed Pre-proline 0 CA--C 1.536 0.436 0 CA-C-O 118.324 -0.846 . . . . 10.0 112.389 -170.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -58.92 -46.35 23.41 Favored 'Trans proline' 0 N--CA 1.448 -1.149 0 C-N-CA 121.037 1.158 . . . . 10.0 110.084 -172.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -67.9 -34.57 76.89 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.556 0.616 . . . . 10.0 111.25 -174.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -59.42 -54.79 42.65 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 118.872 0.76 . . . . 10.0 109.685 168.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -54.07 -47.73 71.38 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 117.896 0.316 . . . . 10.0 110.424 -177.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -54.14 -49.25 69.65 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.534 1.134 . . . . 10.0 111.232 171.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -53.53 -61.45 2.29 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.067 0.547 . . . . 10.0 110.438 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -35.04 76.21 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 120.841 -1.162 . . . . 10.0 110.171 -174.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.6 m -58.66 -47.69 83.61 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 122.222 -0.299 . . . . 10.0 111.534 171.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.4 p -60.1 -44.55 94.73 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 121.013 -1.055 . . . . 10.0 109.838 177.576 87.159 74.077 136.689 106.174 2.083 105.697 -60.958 -90.623 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.1 mt -53.96 -58.37 3.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 123.716 0.806 . . . . 10.0 109.272 177.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -50.22 -53.14 30.24 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.203 1.401 . . . . 10.0 110.261 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -60.73 -66.67 0.49 Allowed 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 111.92 0.341 . . . . 10.0 111.92 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -158.23 46.94 0.35 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 117.995 0.361 . . . . 10.0 110.279 -167.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -119.01 -99.38 1.88 Allowed Glycine 0 C--N 1.335 0.478 0 C-N-CA 121.291 -0.481 . . . . 10.0 112.675 -177.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 59.26 -73.22 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.913 1.685 . . . . 10.0 109.999 -164.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -95.83 -38.77 10.15 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.884 2.074 . . . . 10.0 111.085 173.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 p -56.29 153.67 9.22 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 116.52 2.044 . . . . 10.0 116.52 -141.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.417 ' CD ' ' HZ2' ' A' ' 48' ' ' LYS . 1.5 tm-20 -43.42 -32.57 0.88 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.511 1.924 . . . . 10.0 111.743 166.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -77.79 -11.41 59.88 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.972 -1.08 . . . . 10.0 112.673 -175.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.53 -27.6 13.33 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 118.797 0.726 . . . . 10.0 112.732 -178.502 -90.623 -60.958 136.689 105.697 2.083 106.174 74.077 87.159 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.417 ' HZ2' ' CD ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -44.88 -43.39 8.8 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.628 -0.701 . . . . 10.0 112.397 -178.303 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -49.59 -51.3 38.27 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.65 1.114 . . . . 10.0 111.749 175.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -71.18 -37.71 72.16 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 122.953 0.501 . . . . 10.0 110.343 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.86 -45.61 97.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 118.273 0.488 . . . . 10.0 110.072 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -61.65 -52.32 64.83 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 121.743 -0.598 . . . . 10.0 109.882 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -53.07 -37.09 61.34 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.991 0.36 . . . . 10.0 111.15 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -60.89 -34.87 75.3 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 121.69 -0.631 . . . . 10.0 112.154 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -77.83 -50.95 11.27 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.847 1.203 . . . . 10.0 111.754 -176.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.67 -52.89 58.56 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.771 0.428 . . . . 10.0 111.193 -171.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -17.36 -69.92 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 127.91 2.484 . . . . 10.0 112.979 156.607 -101.52 -175.307 77.26 98.857 2.084 103.381 67.141 -149.539 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 66.0 mtm -79.38 -38.88 33.9 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 123.846 0.859 . . . . 10.0 109.236 -164.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -54.19 -48.73 70.66 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.149 -0.686 . . . . 10.0 109.149 172.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.12 -47.51 87.8 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.614 1.102 . . . . 10.0 111.52 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -57.31 -36.26 70.88 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 117.356 0.578 . . . . 10.0 111.123 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.51 19.59 3.42 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.962 1.268 . . . . 10.0 113.186 170.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -128.29 113.86 16.17 Favored 'General case' 0 C--N 1.338 0.095 0 CA-C-N 118.523 1.161 . . . . 10.0 108.986 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -73.55 74.52 1.47 Allowed 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.763 -0.829 . . . . 10.0 108.763 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.2 t 78.4 143.62 0.09 OUTLIER Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 127.052 2.141 . . . . 10.0 110.11 -174.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -74.71 175.87 10.55 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.195 1.93 . . . . 10.0 110.05 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.7 t -62.74 -56.52 16.84 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 169.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -169.71 90.61 0.2 Allowed 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.259 1.024 . . . . 10.0 108.852 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.526 -0.75 . . . . 10.0 109.793 175.309 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.5 mtp . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 108.198 -1.038 . . . . 10.0 108.198 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.85 -53.34 9.88 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.07 1.348 . . . . 10.0 111.0 -178.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -67.24 -24.92 65.87 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.69 0.626 . . . . 10.0 112.69 -177.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -61.13 -38.57 86.85 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 171.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -79.07 -78.73 0.14 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.549 0.739 . . . . 10.0 110.193 175.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.89 82.93 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.595 0.961 . . . . 10.0 113.595 -156.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -122.7 -93.88 0.51 Allowed 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.3 2.24 . . . . 10.0 105.719 165.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -144.06 168.36 20.18 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 105.165 -2.161 . . . . 10.0 105.165 157.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.0 -62.01 1.36 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.346 1.059 . . . . 10.0 109.373 174.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 66.34 43.01 2.81 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.66 1.584 . . . . 10.0 110.013 -175.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -87.0 -55.74 3.69 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.597 1.159 . . . . 10.0 108.486 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -137.04 121.12 17.79 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 123.737 0.815 . . . . 10.0 110.407 -171.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -88.68 -40.24 13.43 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.937 0.495 . . . . 10.0 109.737 167.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.18 76.27 3.0 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.052 0.541 . . . . 10.0 109.76 -176.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -69.83 63.56 0.2 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.024 1.73 . . . . 10.0 111.442 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.0 p -67.0 -31.67 72.38 Favored 'General case' 0 C--O 1.231 0.12 0 O-C-N 121.3 -0.875 . . . . 10.0 113.037 -171.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.68 69.86 6.07 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.434 -0.792 . . . . 10.0 111.01 -175.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -66.61 74.75 0.1 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.999 0.919 . . . . 10.0 110.022 172.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -146.08 93.03 5.19 Favored Pre-proline 0 N--CA 1.448 -0.525 0 C-N-CA 125.955 1.702 . . . . 10.0 106.582 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.04 147.11 88.65 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 121.55 1.5 . . . . 10.0 109.601 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -128.05 88.58 52.61 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 124.503 1.121 . . . . 10.0 108.719 -172.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -58.84 -29.16 89.28 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 123.725 2.95 . . . . 10.0 114.031 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 88.8 m 74.33 166.77 0.29 Allowed 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 126.05 1.74 . . . . 10.0 110.806 -170.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.3 m 57.43 -91.21 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.982 1.313 . . . . 10.0 110.113 -168.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.6 m 36.29 -132.46 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.917 1.287 . . . . 10.0 109.962 -166.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 t -169.65 35.58 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.551 1.069 . . . . 10.0 112.862 160.54 -149.539 67.141 77.26 103.381 2.084 98.857 -175.307 -101.52 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -55.83 -68.4 0.56 Allowed Pre-proline 0 CA--C 1.536 0.436 0 CA-C-O 118.324 -0.846 . . . . 10.0 112.389 -170.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -58.92 -46.35 23.41 Favored 'Trans proline' 0 N--CA 1.448 -1.149 0 C-N-CA 121.037 1.158 . . . . 10.0 110.084 -172.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -67.9 -34.57 76.89 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.556 0.616 . . . . 10.0 111.25 -174.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -59.42 -54.79 42.65 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 118.872 0.76 . . . . 10.0 109.685 168.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -54.07 -47.73 71.38 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 117.896 0.316 . . . . 10.0 110.424 -177.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -54.14 -49.25 69.65 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.534 1.134 . . . . 10.0 111.232 171.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -53.53 -61.45 2.29 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.067 0.547 . . . . 10.0 110.438 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -35.04 76.21 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 120.841 -1.162 . . . . 10.0 110.171 -174.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.6 m -58.66 -47.69 83.61 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 122.222 -0.299 . . . . 10.0 111.534 171.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.4 p -60.1 -44.55 94.73 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 121.013 -1.055 . . . . 10.0 109.838 177.576 87.159 74.077 136.689 106.174 2.083 105.697 -60.958 -90.623 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.1 mt -53.96 -58.37 3.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 123.716 0.806 . . . . 10.0 109.272 177.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -50.22 -53.14 30.24 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.203 1.401 . . . . 10.0 110.261 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -60.73 -66.67 0.49 Allowed 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 111.92 0.341 . . . . 10.0 111.92 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -158.23 46.94 0.35 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 117.995 0.361 . . . . 10.0 110.279 -167.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -119.01 -99.38 1.88 Allowed Glycine 0 C--N 1.335 0.478 0 C-N-CA 121.291 -0.481 . . . . 10.0 112.675 -177.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 59.26 -73.22 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.913 1.685 . . . . 10.0 109.999 -164.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -95.83 -38.77 10.15 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.884 2.074 . . . . 10.0 111.085 173.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 p -56.29 153.67 9.22 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 116.52 2.044 . . . . 10.0 116.52 -141.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -43.42 -32.57 0.88 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.511 1.924 . . . . 10.0 111.743 166.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.434 ' NZ ' ' OE2' ' A' ' 49' ' ' GLU . 7.3 tptp -77.79 -11.41 59.88 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.972 -1.08 . . . . 10.0 112.673 -175.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.53 -27.6 13.33 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 118.797 0.726 . . . . 10.0 112.732 -178.502 -90.623 -60.958 136.689 105.697 2.083 106.174 74.077 87.159 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.88 -43.39 8.8 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.628 -0.701 . . . . 10.0 112.397 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' OE2' ' NZ ' ' A' ' 46' ' ' LYS . 4.2 pm0 -49.59 -51.3 38.27 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.65 1.114 . . . . 10.0 111.749 175.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -71.18 -37.71 72.16 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 122.953 0.501 . . . . 10.0 110.343 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.86 -45.61 97.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 118.273 0.488 . . . . 10.0 110.072 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -61.65 -52.32 64.83 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 121.743 -0.598 . . . . 10.0 109.882 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -53.07 -37.09 61.34 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.991 0.36 . . . . 10.0 111.15 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -60.89 -34.87 75.3 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 121.69 -0.631 . . . . 10.0 112.154 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -77.83 -50.95 11.27 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.847 1.203 . . . . 10.0 111.754 -176.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.67 -52.89 58.56 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.771 0.428 . . . . 10.0 111.193 -171.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -17.36 -69.92 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 127.91 2.484 . . . . 10.0 112.979 156.607 -101.52 -175.307 77.26 98.857 2.084 103.381 67.141 -149.539 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 66.0 mtm -79.38 -38.88 33.9 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 123.846 0.859 . . . . 10.0 109.236 -164.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -54.19 -48.73 70.66 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.149 -0.686 . . . . 10.0 109.149 172.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.12 -47.51 87.8 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.614 1.102 . . . . 10.0 111.52 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -57.31 -36.26 70.88 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 117.356 0.578 . . . . 10.0 111.123 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.51 19.59 3.42 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.962 1.268 . . . . 10.0 113.186 170.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -128.29 113.86 16.17 Favored 'General case' 0 C--N 1.338 0.095 0 CA-C-N 118.523 1.161 . . . . 10.0 108.986 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -73.55 74.52 1.47 Allowed 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.763 -0.829 . . . . 10.0 108.763 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.2 t 78.4 143.62 0.09 OUTLIER Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 127.052 2.141 . . . . 10.0 110.11 -174.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -74.71 175.87 10.55 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.195 1.93 . . . . 10.0 110.05 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.7 t -62.74 -56.52 16.84 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 169.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -169.71 90.61 0.2 Allowed 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.259 1.024 . . . . 10.0 108.852 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.526 -0.75 . . . . 10.0 109.793 175.309 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.5 mtp . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 108.198 -1.038 . . . . 10.0 108.198 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.85 -53.34 9.88 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.07 1.348 . . . . 10.0 111.0 -178.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -67.24 -24.92 65.87 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.69 0.626 . . . . 10.0 112.69 -177.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -61.13 -38.57 86.85 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 171.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -79.07 -78.73 0.14 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.549 0.739 . . . . 10.0 110.193 175.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.89 82.93 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.595 0.961 . . . . 10.0 113.595 -156.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -122.7 -93.88 0.51 Allowed 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.3 2.24 . . . . 10.0 105.719 165.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -144.06 168.36 20.18 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 105.165 -2.161 . . . . 10.0 105.165 157.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.0 -62.01 1.36 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.346 1.059 . . . . 10.0 109.373 174.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 66.34 43.01 2.81 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.66 1.584 . . . . 10.0 110.013 -175.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -87.0 -55.74 3.69 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.597 1.159 . . . . 10.0 108.486 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -137.04 121.12 17.79 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 123.737 0.815 . . . . 10.0 110.407 -171.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -88.68 -40.24 13.43 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.937 0.495 . . . . 10.0 109.737 167.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.18 76.27 3.0 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.052 0.541 . . . . 10.0 109.76 -176.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -69.83 63.56 0.2 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.024 1.73 . . . . 10.0 111.442 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.0 p -67.0 -31.67 72.38 Favored 'General case' 0 C--O 1.231 0.12 0 O-C-N 121.3 -0.875 . . . . 10.0 113.037 -171.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.68 69.86 6.07 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.434 -0.792 . . . . 10.0 111.01 -175.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -66.61 74.75 0.1 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.999 0.919 . . . . 10.0 110.022 172.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -146.08 93.03 5.19 Favored Pre-proline 0 N--CA 1.448 -0.525 0 C-N-CA 125.955 1.702 . . . . 10.0 106.582 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.04 147.11 88.65 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 121.55 1.5 . . . . 10.0 109.601 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -128.05 88.58 52.61 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 124.503 1.121 . . . . 10.0 108.719 -172.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -58.84 -29.16 89.28 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 123.725 2.95 . . . . 10.0 114.031 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 88.8 m 74.33 166.77 0.29 Allowed 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 126.05 1.74 . . . . 10.0 110.806 -170.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.3 m 57.43 -91.21 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.982 1.313 . . . . 10.0 110.113 -168.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.6 m 36.29 -132.46 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 124.917 1.287 . . . . 10.0 109.962 -166.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.8 t -169.65 35.58 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.551 1.069 . . . . 10.0 112.862 160.54 -149.539 67.141 77.26 103.381 2.084 98.857 -175.307 -101.52 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -55.83 -68.4 0.56 Allowed Pre-proline 0 CA--C 1.536 0.436 0 CA-C-O 118.324 -0.846 . . . . 10.0 112.389 -170.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -58.92 -46.35 23.41 Favored 'Trans proline' 0 N--CA 1.448 -1.149 0 C-N-CA 121.037 1.158 . . . . 10.0 110.084 -172.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -67.9 -34.57 76.89 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.556 0.616 . . . . 10.0 111.25 -174.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -59.42 -54.79 42.65 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-N 118.872 0.76 . . . . 10.0 109.685 168.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -54.07 -47.73 71.38 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 117.896 0.316 . . . . 10.0 110.424 -177.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -54.14 -49.25 69.65 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.534 1.134 . . . . 10.0 111.232 171.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -53.53 -61.45 2.29 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.067 0.547 . . . . 10.0 110.438 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -35.04 76.21 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 120.841 -1.162 . . . . 10.0 110.171 -174.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.6 m -58.66 -47.69 83.61 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 122.222 -0.299 . . . . 10.0 111.534 171.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.4 p -60.1 -44.55 94.73 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 121.013 -1.055 . . . . 10.0 109.838 177.576 87.159 74.077 136.689 106.174 2.083 105.697 -60.958 -90.623 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.1 mt -53.96 -58.37 3.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 123.716 0.806 . . . . 10.0 109.272 177.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -50.22 -53.14 30.24 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.203 1.401 . . . . 10.0 110.261 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -60.73 -66.67 0.49 Allowed 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 111.92 0.341 . . . . 10.0 111.92 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -158.23 46.94 0.35 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 117.995 0.361 . . . . 10.0 110.279 -167.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -119.01 -99.38 1.88 Allowed Glycine 0 C--N 1.335 0.478 0 C-N-CA 121.291 -0.481 . . . . 10.0 112.675 -177.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 59.26 -73.22 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.913 1.685 . . . . 10.0 109.999 -164.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -95.83 -38.77 10.15 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.884 2.074 . . . . 10.0 111.085 173.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 p -56.29 153.67 9.22 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 116.52 2.044 . . . . 10.0 116.52 -141.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -43.42 -32.57 0.88 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.511 1.924 . . . . 10.0 111.743 166.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.434 ' NZ ' ' OE2' ' A' ' 49' ' ' GLU . 7.3 tptp -77.79 -11.41 59.88 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.972 -1.08 . . . . 10.0 112.673 -175.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 m -100.53 -27.6 13.33 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 118.797 0.726 . . . . 10.0 112.732 -178.502 -90.623 -60.958 136.689 105.697 2.083 106.174 74.077 87.159 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.88 -43.39 8.8 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.628 -0.701 . . . . 10.0 112.397 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' OE2' ' NZ ' ' A' ' 46' ' ' LYS . 4.2 pm0 -49.59 -51.3 38.27 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.65 1.114 . . . . 10.0 111.749 175.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -71.18 -37.71 72.16 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 122.953 0.501 . . . . 10.0 110.343 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.86 -45.61 97.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 118.273 0.488 . . . . 10.0 110.072 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -61.65 -52.32 64.83 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 121.743 -0.598 . . . . 10.0 109.882 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -53.07 -37.09 61.34 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.991 0.36 . . . . 10.0 111.15 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -60.89 -34.87 75.3 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 121.69 -0.631 . . . . 10.0 112.154 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -77.83 -50.95 11.27 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.847 1.203 . . . . 10.0 111.754 -176.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.67 -52.89 58.56 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.771 0.428 . . . . 10.0 111.193 -171.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -17.36 -69.92 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 127.91 2.484 . . . . 10.0 112.979 156.607 -101.52 -175.307 77.26 98.857 2.084 103.381 67.141 -149.539 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 66.0 mtm -79.38 -38.88 33.9 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 123.846 0.859 . . . . 10.0 109.236 -164.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -54.19 -48.73 70.66 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.149 -0.686 . . . . 10.0 109.149 172.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.12 -47.51 87.8 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.614 1.102 . . . . 10.0 111.52 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -57.31 -36.26 70.88 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 117.356 0.578 . . . . 10.0 111.123 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 121.51 19.59 3.42 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.962 1.268 . . . . 10.0 113.186 170.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -128.29 113.86 16.17 Favored 'General case' 0 C--N 1.338 0.095 0 CA-C-N 118.523 1.161 . . . . 10.0 108.986 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -73.55 74.52 1.47 Allowed 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.763 -0.829 . . . . 10.0 108.763 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.2 t 78.4 143.62 0.09 OUTLIER Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 127.052 2.141 . . . . 10.0 110.11 -174.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -74.71 175.87 10.55 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.195 1.93 . . . . 10.0 110.05 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.7 t -62.74 -56.52 16.84 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 169.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -169.71 90.61 0.2 Allowed 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.259 1.024 . . . . 10.0 108.852 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.526 -0.75 . . . . 10.0 109.793 175.309 . . . . . . . . 0 0 . 1 stop_ save_