data_1f03_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 1f03 _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 ' 3' ' ' ALA . . . . . . . . . . . . 2.369 . . . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 106.261 -1.755 . . . . 10.0 106.261 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.5 p -69.56 157.59 6.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 106.471 -1.677 . . . . 10.0 106.471 158.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -142.36 140.94 32.25 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 106.233 -1.765 . . . . 10.0 106.233 172.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -100.06 156.07 17.38 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.643 -0.873 . . . . 10.0 108.643 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -129.36 138.98 51.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.8 p -76.19 158.88 31.21 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.949 -0.76 . . . . 10.0 108.949 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.3 -41.5 62.97 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.846 -0.428 . . . . 10.0 109.846 171.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -55.43 -62.67 1.53 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.866 1.266 . . . . 10.0 111.686 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.19 -48.35 65.08 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 122.028 -0.42 . . . . 10.0 110.014 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.9 mt -60.8 -44.05 96.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -50.3 -48.08 55.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.262 1.025 . . . . 10.0 110.494 176.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -57.58 -18.14 18.07 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.447 1.021 . . . . 10.0 113.118 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -104.37 67.06 0.83 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.37 1.468 . . . . 10.0 108.108 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -124.1 -4.96 7.92 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 114.082 1.141 . . . . 10.0 114.082 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -140.02 158.3 44.28 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 119.318 0.963 . . . . 10.0 111.953 -164.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.6 m 37.63 0.68 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.605 1 C-N-CA 132.384 4.274 . . . . 10.0 120.626 165.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -170.66 -50.79 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 120.287 1.403 . . . . 10.0 109.885 -157.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.2 m -132.98 104.42 6.54 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 -174.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.9 m -93.39 90.27 6.67 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 125.066 1.346 . . . . 10.0 108.169 167.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 40.3 m0 -95.55 167.17 11.47 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.232 -1.025 . . . . 10.0 108.232 165.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 pp -171.4 164.92 7.07 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.341 1.056 . . . . 10.0 108.785 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.3 mt -109.88 121.15 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 125.422 1.489 . . . . 10.0 107.711 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.18 119.2 33.43 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 106.142 -1.799 . . . . 10.0 106.142 167.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 52.52 46.49 26.6 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.323 1.049 . . . . 10.0 111.245 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 65.84 8.86 5.61 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.415 1.486 . . . . 10.0 113.979 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -110.82 133.15 53.59 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 119.273 0.942 . . . . 10.0 108.479 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 t -95.56 131.74 41.55 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 123.678 0.791 . . . . 10.0 109.908 -174.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -125.84 120.29 30.11 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.273 1.029 . . . . 10.0 109.472 -176.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -89.03 116.05 27.03 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 106.803 -1.555 . . . . 10.0 106.803 165.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.37 25.79 8.72 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 175.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.41 -37.94 87.74 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.703 -0.623 . . . . 10.0 111.197 -169.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -80.29 -5.14 55.77 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 122.025 -0.422 . . . . 10.0 111.273 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -102.53 -0.62 31.91 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 125.345 1.458 . . . . 10.0 110.354 -176.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.9 mt -51.14 -58.92 4.86 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.538 1.063 . . . . 10.0 112.451 -175.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.36 -41.15 98.39 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.901 0.48 . . . . 10.0 111.043 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -64.79 -37.56 88.02 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.827 1.251 . . . . 10.0 111.63 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -60.93 115.15 12.64 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 125.563 1.545 . . . . 10.0 110.445 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -80.24 52.54 4.36 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.745 2.297 . . . . 10.0 110.685 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -143.88 12.69 2.15 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 125.785 1.66 . . . . 10.0 110.77 166.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.46 151.89 19.76 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-N 117.814 0.807 . . . . 10.0 111.245 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -42.52 56.95 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.841 0.856 . . . . 10.0 109.91 172.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.1 -49.85 65.64 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.165 0.986 . . . . 10.0 111.274 -172.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.3 p -67.16 -44.23 87.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 122.05 -0.406 . . . . 10.0 110.492 -176.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.92 -45.84 71.3 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 117.809 0.277 . . . . 10.0 110.576 172.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.45 -50.79 70.08 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.158 0.983 . . . . 10.0 108.824 -176.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.55 -42.21 78.16 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.83 1.252 . . . . 10.0 110.869 -177.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -82.86 -7.07 59.69 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.019 0.928 . . . . 10.0 113.095 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.18 152.31 37.8 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 121.611 -0.681 . . . . 10.0 111.206 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.0 7.73 62.28 Favored Glycine 0 CA--C 1.523 0.569 0 CA-C-O 119.395 -0.669 . . . . 10.0 114.417 170.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -173.68 -158.76 18.74 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 120.01 1.905 . . . . 10.0 111.307 -178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -61.3 113.95 2.9 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.39 18.65 13.6 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 164.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.3 m -57.69 -60.3 3.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.184 -1.043 . . . . 10.0 108.184 -176.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.12 -42.85 73.52 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 123.471 0.482 . . . . 10.0 110.385 -176.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -53.52 57.03 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 117.947 0.34 . . . . 10.0 110.291 177.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -50.37 -53.44 29.1 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.098 0.959 . . . . 10.0 112.289 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -72.68 -38.13 67.67 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 112.635 0.606 . . . . 10.0 112.635 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.94 -46.22 78.58 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 123.443 0.697 . . . . 10.0 110.674 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.3 t -60.91 -52.5 60.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 169.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.94 141.01 10.27 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 109.027 -1.629 . . . . 10.0 109.027 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -148.71 130.13 14.79 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.897 -1.149 . . . . 10.0 107.897 -170.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.9 m -66.85 171.83 4.96 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.362 1.065 . . . . 10.0 112.462 -172.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 p -53.08 -53.02 56.54 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.389 1.076 . . . . 10.0 110.32 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -44.94 -56.76 4.29 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 123.579 0.752 . . . . 10.0 110.487 173.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.07 88.21 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.287 1.035 . . . . 10.0 111.324 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -61.75 -40.39 94.93 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.522 0.729 . . . . 10.0 110.616 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -75.83 -38.2 58.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.835 0.826 . . . . 10.0 110.086 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.36 -54.56 38.85 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.201 1.8 . . . . 10.0 108.118 172.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 p -40.55 -50.94 2.98 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 122.95 0.5 . . . . 10.0 111.921 174.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -56.1 -34.83 66.39 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.618 0.644 . . . . 10.0 111.724 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 49.1 m -60.64 -26.84 67.35 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.27 0.628 . . . . 10.0 111.553 175.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -100.41 6.37 44.44 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.358 1.463 . . . . 10.0 112.151 175.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.9 tt -65.16 130.4 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.094 -1.076 . . . . 10.0 108.094 176.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.9 pt -105.5 -29.19 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.702 -0.481 . . . . 10.0 109.702 171.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 170.7 -158.64 30.45 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 109.887 -1.285 . . . . 10.0 109.887 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -122.26 168.56 11.88 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 122.756 1.265 . . . . 10.0 111.626 -175.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.8 tp -69.1 134.19 49.04 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.974 -1.466 . . . . 10.0 109.029 176.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.461 ' HD1' ' CB ' ' A' ' 82' ' ' ASP . 10.4 t-80 -55.63 136.28 71.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 C-N-CA 123.045 0.538 . . . . 10.0 111.467 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -63.55 -7.54 12.85 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.67 2.247 . . . . 10.0 113.287 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.461 ' CB ' ' HD1' ' A' ' 80' ' ' HIS . 31.8 t70 -76.91 -30.9 56.35 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.617 0.644 . . . . 10.0 111.007 173.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -71.82 -54.49 9.98 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.72 0.408 . . . . 10.0 110.818 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 . . . . . 0 C--O 1.251 1.137 0 CA-C-O 117.775 -1.107 . . . . 10.0 113.003 -165.223 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . 2.369 . . . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 106.261 -1.755 . . . . 10.0 106.261 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.5 p -69.56 157.59 6.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 106.471 -1.677 . . . . 10.0 106.471 158.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -142.36 140.94 32.25 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 106.233 -1.765 . . . . 10.0 106.233 172.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -100.06 156.07 17.38 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.643 -0.873 . . . . 10.0 108.643 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -129.36 138.98 51.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.8 p -76.19 158.88 31.21 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.949 -0.76 . . . . 10.0 108.949 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.3 -41.5 62.97 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.846 -0.428 . . . . 10.0 109.846 171.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -55.43 -62.67 1.53 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.866 1.266 . . . . 10.0 111.686 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.19 -48.35 65.08 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 122.028 -0.42 . . . . 10.0 110.014 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.9 mt -60.8 -44.05 96.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -50.3 -48.08 55.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.262 1.025 . . . . 10.0 110.494 176.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -57.58 -18.14 18.07 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.447 1.021 . . . . 10.0 113.118 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -104.37 67.06 0.83 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.37 1.468 . . . . 10.0 108.108 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -124.1 -4.96 7.92 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 114.082 1.141 . . . . 10.0 114.082 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -140.02 158.3 44.28 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 119.318 0.963 . . . . 10.0 111.953 -164.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.6 m 37.63 0.68 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.605 1 C-N-CA 132.384 4.274 . . . . 10.0 120.626 165.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -170.66 -50.79 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 120.287 1.403 . . . . 10.0 109.885 -157.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.2 m -132.98 104.42 6.54 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 -174.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.735 HG23 ' HB2' ' A' ' 50' ' ' ALA . 29.9 m -93.39 90.27 6.67 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 125.066 1.346 . . . . 10.0 108.169 167.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 40.3 m0 -95.55 167.17 11.47 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.232 -1.025 . . . . 10.0 108.232 165.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.408 HD13 HD13 ' A' ' 25' ' ' LEU . 1.5 pp -171.4 164.92 7.07 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.341 1.056 . . . . 10.0 108.785 176.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.3 mt -109.88 121.15 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 125.422 1.489 . . . . 10.0 107.711 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.408 HD13 HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -119.18 119.2 33.43 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 106.142 -1.799 . . . . 10.0 106.142 167.731 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 52.52 46.49 26.6 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.323 1.049 . . . . 10.0 111.245 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 65.84 8.86 5.61 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.415 1.486 . . . . 10.0 113.979 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -110.82 133.15 53.59 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 119.273 0.942 . . . . 10.0 108.479 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 t -95.56 131.74 41.55 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 123.678 0.791 . . . . 10.0 109.908 -174.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -125.84 120.29 30.11 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.273 1.029 . . . . 10.0 109.472 -176.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -89.03 116.05 27.03 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 106.803 -1.555 . . . . 10.0 106.803 165.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.547 HD21 ' HAB' ' A' ' 201' ' ' HEM . 0.8 OUTLIER -122.37 25.79 8.72 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 175.63 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.41 -37.94 87.74 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.703 -0.623 . . . . 10.0 111.197 -169.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -80.29 -5.14 55.77 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 122.025 -0.422 . . . . 10.0 111.273 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -102.53 -0.62 31.91 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 125.345 1.458 . . . . 10.0 110.354 -176.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.9 mt -51.14 -58.92 4.86 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.538 1.063 . . . . 10.0 112.451 -175.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.36 -41.15 98.39 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.901 0.48 . . . . 10.0 111.043 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -64.79 -37.56 88.02 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.827 1.251 . . . . 10.0 111.63 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -60.93 115.15 12.64 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 125.563 1.545 . . . . 10.0 110.445 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -80.24 52.54 4.36 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.745 2.297 . . . . 10.0 110.685 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -143.88 12.69 2.15 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 125.785 1.66 . . . . 10.0 110.77 166.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.46 151.89 19.76 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-N 117.814 0.807 . . . . 10.0 111.245 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -42.52 56.95 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.841 0.856 . . . . 10.0 109.91 172.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.1 -49.85 65.64 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.165 0.986 . . . . 10.0 111.274 -172.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.3 p -67.16 -44.23 87.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 122.05 -0.406 . . . . 10.0 110.492 -176.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.92 -45.84 71.3 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 117.809 0.277 . . . . 10.0 110.576 172.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.45 -50.79 70.08 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.158 0.983 . . . . 10.0 108.824 -176.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.55 -42.21 78.16 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.83 1.252 . . . . 10.0 110.869 -177.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.482 ' HG3' HBC1 ' A' ' 201' ' ' HEM . 83.1 mm-40 -82.86 -7.07 59.69 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.019 0.928 . . . . 10.0 113.095 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.735 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -63.18 152.31 37.8 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 121.611 -0.681 . . . . 10.0 111.206 -177.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.0 7.73 62.28 Favored Glycine 0 CA--C 1.523 0.569 0 CA-C-O 119.395 -0.669 . . . . 10.0 114.417 170.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -173.68 -158.76 18.74 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 120.01 1.905 . . . . 10.0 111.307 -178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -61.3 113.95 2.9 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.39 18.65 13.6 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 164.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.3 m -57.69 -60.3 3.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.184 -1.043 . . . . 10.0 108.184 -176.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.12 -42.85 73.52 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 123.471 0.482 . . . . 10.0 110.385 -176.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -53.52 57.03 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 117.947 0.34 . . . . 10.0 110.291 177.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -50.37 -53.44 29.1 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.098 0.959 . . . . 10.0 112.289 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -72.68 -38.13 67.67 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 112.635 0.606 . . . . 10.0 112.635 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.94 -46.22 78.58 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 123.443 0.697 . . . . 10.0 110.674 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.3 t -60.91 -52.5 60.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 169.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.94 141.01 10.27 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 109.027 -1.629 . . . . 10.0 109.027 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -148.71 130.13 14.79 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.897 -1.149 . . . . 10.0 107.897 -170.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.9 m -66.85 171.83 4.96 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.362 1.065 . . . . 10.0 112.462 -172.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 p -53.08 -53.02 56.54 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.389 1.076 . . . . 10.0 110.32 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -44.94 -56.76 4.29 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 123.579 0.752 . . . . 10.0 110.487 173.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.07 88.21 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.287 1.035 . . . . 10.0 111.324 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -61.75 -40.39 94.93 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.522 0.729 . . . . 10.0 110.616 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -75.83 -38.2 58.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.835 0.826 . . . . 10.0 110.086 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.36 -54.56 38.85 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.201 1.8 . . . . 10.0 108.118 172.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.457 ' HB2' ' CBB' ' A' ' 201' ' ' HEM . 3.1 p -40.55 -50.94 2.98 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 122.95 0.5 . . . . 10.0 111.921 174.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -56.1 -34.83 66.39 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.618 0.644 . . . . 10.0 111.724 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 49.1 m -60.64 -26.84 67.35 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.27 0.628 . . . . 10.0 111.553 175.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -100.41 6.37 44.44 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.358 1.463 . . . . 10.0 112.151 175.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.9 tt -65.16 130.4 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.094 -1.076 . . . . 10.0 108.094 176.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.9 pt -105.5 -29.19 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.702 -0.481 . . . . 10.0 109.702 171.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 170.7 -158.64 30.45 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 109.887 -1.285 . . . . 10.0 109.887 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -122.26 168.56 11.88 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 122.756 1.265 . . . . 10.0 111.626 -175.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.628 HD21 ' OD1' ' A' ' 83' ' ' ASP . 52.8 tp -69.1 134.19 49.04 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.974 -1.466 . . . . 10.0 109.029 176.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -55.63 136.28 71.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 C-N-CA 123.045 0.538 . . . . 10.0 111.467 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -63.55 -7.54 12.85 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.67 2.247 . . . . 10.0 113.287 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -76.91 -30.9 56.35 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.617 0.644 . . . . 10.0 111.007 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.628 ' OD1' HD21 ' A' ' 79' ' ' LEU . 6.7 t70 -71.82 -54.49 9.98 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.72 0.408 . . . . 10.0 110.818 -176.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 . . . . . 0 C--O 1.251 1.137 0 CA-C-O 117.775 -1.107 . . . . 10.0 113.003 -165.223 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' HEM . . . . . 0.547 ' HAB' HD21 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . 2.369 . . . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 106.261 -1.755 . . . . 10.0 106.261 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.5 p -69.56 157.59 6.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 106.471 -1.677 . . . . 10.0 106.471 158.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -142.36 140.94 32.25 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 106.233 -1.765 . . . . 10.0 106.233 172.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -100.06 156.07 17.38 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.643 -0.873 . . . . 10.0 108.643 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -129.36 138.98 51.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.8 p -76.19 158.88 31.21 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.949 -0.76 . . . . 10.0 108.949 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.3 -41.5 62.97 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.846 -0.428 . . . . 10.0 109.846 171.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -55.43 -62.67 1.53 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.866 1.266 . . . . 10.0 111.686 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.19 -48.35 65.08 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 122.028 -0.42 . . . . 10.0 110.014 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.9 mt -60.8 -44.05 96.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -50.3 -48.08 55.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 124.262 1.025 . . . . 10.0 110.494 176.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -57.58 -18.14 18.07 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.447 1.021 . . . . 10.0 113.118 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -104.37 67.06 0.83 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.37 1.468 . . . . 10.0 108.108 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -124.1 -4.96 7.92 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 114.082 1.141 . . . . 10.0 114.082 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -140.02 158.3 44.28 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 119.318 0.963 . . . . 10.0 111.953 -164.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.6 m 37.63 0.68 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.605 1 C-N-CA 132.384 4.274 . . . . 10.0 120.626 165.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -170.66 -50.79 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 120.287 1.403 . . . . 10.0 109.885 -157.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.2 m -132.98 104.42 6.54 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 -174.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.735 HG23 ' HB2' ' A' ' 50' ' ' ALA . 29.9 m -93.39 90.27 6.67 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 125.066 1.346 . . . . 10.0 108.169 167.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 40.3 m0 -95.55 167.17 11.47 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.232 -1.025 . . . . 10.0 108.232 165.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.408 HD13 HD13 ' A' ' 25' ' ' LEU . 1.5 pp -171.4 164.92 7.07 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.341 1.056 . . . . 10.0 108.785 176.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.3 mt -109.88 121.15 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 125.422 1.489 . . . . 10.0 107.711 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.408 HD13 HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -119.18 119.2 33.43 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 106.142 -1.799 . . . . 10.0 106.142 167.731 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 52.52 46.49 26.6 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.323 1.049 . . . . 10.0 111.245 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 65.84 8.86 5.61 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.415 1.486 . . . . 10.0 113.979 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -110.82 133.15 53.59 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 119.273 0.942 . . . . 10.0 108.479 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 t -95.56 131.74 41.55 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 123.678 0.791 . . . . 10.0 109.908 -174.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -125.84 120.29 30.11 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.273 1.029 . . . . 10.0 109.472 -176.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -89.03 116.05 27.03 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 106.803 -1.555 . . . . 10.0 106.803 165.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.547 HD21 ' HAB' ' A' ' 201' ' ' HEM . 0.8 OUTLIER -122.37 25.79 8.72 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.442 -0.577 . . . . 10.0 109.442 175.63 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.41 -37.94 87.74 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.703 -0.623 . . . . 10.0 111.197 -169.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -80.29 -5.14 55.77 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 122.025 -0.422 . . . . 10.0 111.273 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -102.53 -0.62 31.91 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 125.345 1.458 . . . . 10.0 110.354 -176.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.9 mt -51.14 -58.92 4.86 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.538 1.063 . . . . 10.0 112.451 -175.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.36 -41.15 98.39 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.901 0.48 . . . . 10.0 111.043 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -64.79 -37.56 88.02 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.827 1.251 . . . . 10.0 111.63 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -60.93 115.15 12.64 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 125.563 1.545 . . . . 10.0 110.445 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -80.24 52.54 4.36 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.745 2.297 . . . . 10.0 110.685 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -143.88 12.69 2.15 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 125.785 1.66 . . . . 10.0 110.77 166.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.46 151.89 19.76 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-N 117.814 0.807 . . . . 10.0 111.245 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -42.52 56.95 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.841 0.856 . . . . 10.0 109.91 172.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.1 -49.85 65.64 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.165 0.986 . . . . 10.0 111.274 -172.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.3 p -67.16 -44.23 87.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 122.05 -0.406 . . . . 10.0 110.492 -176.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.92 -45.84 71.3 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 117.809 0.277 . . . . 10.0 110.576 172.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.45 -50.79 70.08 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.158 0.983 . . . . 10.0 108.824 -176.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.55 -42.21 78.16 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.83 1.252 . . . . 10.0 110.869 -177.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.482 ' HG3' HBC1 ' A' ' 201' ' ' HEM . 83.1 mm-40 -82.86 -7.07 59.69 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.019 0.928 . . . . 10.0 113.095 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.735 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -63.18 152.31 37.8 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 121.611 -0.681 . . . . 10.0 111.206 -177.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.0 7.73 62.28 Favored Glycine 0 CA--C 1.523 0.569 0 CA-C-O 119.395 -0.669 . . . . 10.0 114.417 170.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -173.68 -158.76 18.74 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 120.01 1.905 . . . . 10.0 111.307 -178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -61.3 113.95 2.9 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.39 18.65 13.6 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.246 -0.65 . . . . 10.0 109.246 164.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.3 m -57.69 -60.3 3.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.184 -1.043 . . . . 10.0 108.184 -176.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.12 -42.85 73.52 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 123.471 0.482 . . . . 10.0 110.385 -176.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -53.52 57.03 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 117.947 0.34 . . . . 10.0 110.291 177.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.9 t80 -50.37 -53.44 29.1 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.098 0.959 . . . . 10.0 112.289 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -72.68 -38.13 67.67 Favored 'General case' 0 C--N 1.341 0.222 0 N-CA-C 112.635 0.606 . . . . 10.0 112.635 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.94 -46.22 78.58 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 123.443 0.697 . . . . 10.0 110.674 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.3 t -60.91 -52.5 60.96 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 169.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.94 141.01 10.27 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 109.027 -1.629 . . . . 10.0 109.027 -175.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -148.71 130.13 14.79 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.897 -1.149 . . . . 10.0 107.897 -170.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.9 m -66.85 171.83 4.96 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.362 1.065 . . . . 10.0 112.462 -172.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 p -53.08 -53.02 56.54 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.389 1.076 . . . . 10.0 110.32 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -44.94 -56.76 4.29 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 123.579 0.752 . . . . 10.0 110.487 173.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.07 88.21 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.287 1.035 . . . . 10.0 111.324 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -61.75 -40.39 94.93 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.522 0.729 . . . . 10.0 110.616 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -75.83 -38.2 58.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.835 0.826 . . . . 10.0 110.086 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.36 -54.56 38.85 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.201 1.8 . . . . 10.0 108.118 172.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.457 ' HB2' ' CBB' ' A' ' 201' ' ' HEM . 3.1 p -40.55 -50.94 2.98 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 122.95 0.5 . . . . 10.0 111.921 174.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -56.1 -34.83 66.39 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.618 0.644 . . . . 10.0 111.724 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 49.1 m -60.64 -26.84 67.35 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.27 0.628 . . . . 10.0 111.553 175.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -100.41 6.37 44.44 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.358 1.463 . . . . 10.0 112.151 175.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.9 tt -65.16 130.4 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 108.094 -1.076 . . . . 10.0 108.094 176.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.9 pt -105.5 -29.19 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.702 -0.481 . . . . 10.0 109.702 171.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 170.7 -158.64 30.45 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 109.887 -1.285 . . . . 10.0 109.887 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -122.26 168.56 11.88 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 122.756 1.265 . . . . 10.0 111.626 -175.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.628 HD21 ' OD1' ' A' ' 83' ' ' ASP . 52.8 tp -69.1 134.19 49.04 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.974 -1.466 . . . . 10.0 109.029 176.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -55.63 136.28 71.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 C-N-CA 123.045 0.538 . . . . 10.0 111.467 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -63.55 -7.54 12.85 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.67 2.247 . . . . 10.0 113.287 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -76.91 -30.9 56.35 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.617 0.644 . . . . 10.0 111.007 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.628 ' OD1' HD21 ' A' ' 79' ' ' LEU . 6.7 t70 -71.82 -54.49 9.98 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.72 0.408 . . . . 10.0 110.818 -176.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 . . . . . 0 C--O 1.251 1.137 0 CA-C-O 117.775 -1.107 . . . . 10.0 113.003 -165.223 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' HEM . . . . . 0.547 ' HAB' HD21 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_