data_2nuz_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 2nuz _Structure_validation_residue.Date_analyzed 2016-10-12 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 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 . . . . . 0 N--CA 1.502 2.128 0 N-CA-C 111.875 0.324 . . . . 39.33 111.875 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -115.34 145.61 42.34 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 107.972 -1.121 . . . . 28.19 107.972 -179.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.0 m -128.07 152.82 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 108.406 -0.961 . . . . 28.03 108.406 171.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.2 tp -101.13 130.33 47.17 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 124.546 1.138 . . . . 26.98 108.602 177.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.5 117.73 15.61 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.5 -1.296 . . . . 26.94 107.5 175.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.0 mt -84.84 -24.61 28.54 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 112.491 0.552 . . . . 28.07 112.491 177.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -140.69 157.86 44.82 Favored 'General case' 0 CA--C 1.505 -0.768 0 C-N-CA 123.444 0.697 . . . . 30.68 109.729 179.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -60.86 142.92 55.78 Favored 'General case' 0 C--O 1.249 1.028 0 N-CA-C 107.353 -1.351 . . . . 34.85 107.353 166.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -141.52 122.85 14.87 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.096 -0.502 . . . . 28.11 110.62 167.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -99.74 125.86 45.71 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 120.86 0.362 . . . . 30.07 110.676 178.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -56.71 139.96 48.86 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.545 0.943 . . . . 30.59 113.545 -176.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -126.56 -1.72 6.79 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.481 -0.327 . . . . 38.66 111.22 -173.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 p -149.42 166.72 14.59 Favored Pre-proline 0 C--O 1.237 0.405 0 C-N-CA 120.093 -0.643 . . . . 26.04 110.163 170.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -52.58 -29.47 41.0 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.146 1.898 . . . . 24.32 115.12 -176.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . 0.698 ' NH1' ' O ' ' A' ' 68' ' ' HOH . 0.9 OUTLIER -89.64 -4.37 57.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 120.353 -0.539 . . . . 47.19 111.893 -173.394 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -96.41 162.31 13.55 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 112.485 0.55 . . . . 27.72 112.485 -174.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.1 p -128.26 159.95 38.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 107.959 -1.126 . . . . 25.37 107.959 176.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.9 m -96.61 140.06 31.78 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 122.65 0.38 . . . . 25.32 111.14 177.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -137.11 159.54 41.6 Favored 'General case' 0 C--O 1.262 1.724 0 N-CA-C 108.184 -1.043 . . . . 28.98 108.184 175.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -113.22 143.51 44.28 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 106.896 -1.52 . . . . 30.35 106.896 177.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -46.47 133.17 10.17 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 110.591 -0.152 . . . . 30.94 110.591 171.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.18 -15.18 63.75 Favored Glycine 0 CA--C 1.528 0.886 0 O-C-N 123.474 0.484 . . . . 22.59 113.828 179.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -61.42 143.48 55.75 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 117.239 0.519 . . . . 27.61 110.596 177.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.1 mm -107.05 116.27 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.09 0 N-CA-C 107.162 -1.422 . . . . 25.43 107.162 174.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.4 mt -110.95 148.28 32.85 Favored 'General case' 0 CA--C 1.505 -0.783 0 O-C-N 123.711 0.632 . . . . 32.63 110.252 -170.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.7 m -85.84 125.36 33.23 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 108.01 -1.108 . . . . 24.94 108.01 173.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 47.2 tp -83.74 121.93 27.96 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 124.038 0.836 . . . . 27.62 110.138 179.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -103.24 -35.44 8.45 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.422 -0.354 . . . . 26.88 110.916 -177.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -156.79 117.62 3.67 Favored 'General case' 0 C--O 1.249 1.075 0 C-N-CA 118.912 -1.115 . . . . 24.71 110.311 -174.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.3 p -120.05 26.94 8.95 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 120.012 -0.675 . . . . 24.78 112.234 -179.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.1 p -72.15 -25.45 61.71 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 114.165 1.172 . . . . 22.65 114.165 -179.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -86.51 139.51 30.8 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.266 -0.642 . . . . 25.02 109.266 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -73.73 -23.9 59.83 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 116.505 -2.078 . . . . 43.31 114.013 -176.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -101.67 -32.95 10.08 Favored 'General case' 0 C--O 1.247 0.929 0 N-CA-C 115.093 1.516 . . . . 33.25 115.093 -171.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -130.09 122.74 28.88 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.636 -0.505 . . . . 29.53 109.636 -172.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 39.4 m0 -111.27 140.07 46.15 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 118.243 0.474 . . . . 28.12 110.085 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -87.96 123.62 32.87 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 123.38 0.672 . . . . 37.28 109.424 177.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.3 m -129.12 168.26 22.74 Favored 'Isoleucine or valine' 0 C--O 1.246 0.891 0 CA-C-N 115.231 -0.895 . . . . 28.45 109.305 -176.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -117.51 125.87 51.61 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 106.297 -1.742 . . . . 41.4 106.297 174.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.2 t -123.77 111.18 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.806 0 N-CA-C 102.696 -3.075 . . . . 39.32 102.696 -177.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASN . . . . . 0.962 ' ND2' ' OD1' ' A' ' 48' ' ' ASP . 0.1 OUTLIER 47.75 -100.2 0.06 Allowed 'General case' 0 C--O 1.242 0.683 0 O-C-N 125.289 1.618 . . . . 42.81 113.317 -167.482 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . 0.962 ' OD1' ' ND2' ' A' ' 47' ' ' ASN . 12.2 m-20 -112.96 12.56 19.35 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 112.505 0.557 . . . . 39.77 112.505 -176.435 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -120.53 142.32 49.44 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 120.693 -0.403 . . . . 36.91 111.36 179.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -115.97 139.91 49.78 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 122.978 0.174 . . . . 38.58 110.942 174.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.29 -168.42 40.9 Favored Glycine 0 C--O 1.216 -0.973 0 N-CA-C 110.753 -0.939 . . . . 29.37 110.753 175.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -100.9 141.29 33.99 Favored 'General case' 0 N--CA 1.434 -1.228 0 N-CA-C 113.154 0.798 . . . . 27.47 113.154 -170.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.1 m -129.04 161.95 55.04 Favored Pre-proline 0 N--CA 1.482 1.157 0 O-C-N 124.699 1.249 . . . . 27.78 107.998 167.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -65.53 132.39 30.92 Favored 'Trans proline' 0 C--N 1.36 1.167 0 N-CA-C 109.142 -1.138 . . . . 26.61 109.142 179.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.52 -32.28 70.16 Favored 'General case' 0 C--O 1.253 1.248 0 N-CA-C 113.537 0.94 . . . . 26.31 113.537 179.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.07 -18.23 65.24 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 119.945 -0.702 . . . . 25.87 111.485 -177.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -93.48 3.93 54.77 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 119.667 -0.813 . . . . 30.13 112.668 -173.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.1 m -128.47 157.24 41.01 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.115 0 O-C-N 123.742 0.651 . . . . 29.09 111.262 177.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -127.04 123.91 38.1 Favored 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 107.824 -1.176 . . . . 36.98 107.824 178.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -61.47 139.9 58.15 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 110.089 -0.338 . . . . 34.99 110.089 175.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.0 mt . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 113.711 1.004 . . . . 37.58 113.711 178.787 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HOH . . . . . 0.698 ' O ' ' NH1' ' A' ' 21' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 . . . . . 0 N--CA 1.502 2.128 0 N-CA-C 111.875 0.324 . . . . 39.33 111.875 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -115.34 145.61 42.34 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 107.972 -1.121 . . . . 28.19 107.972 -179.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.0 m -128.07 152.82 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 108.406 -0.961 . . . . 28.03 108.406 171.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.2 tp -101.13 130.33 47.17 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 124.546 1.138 . . . . 26.98 108.602 177.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.5 117.73 15.61 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.5 -1.296 . . . . 26.94 107.5 175.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.0 mt -84.84 -24.61 28.54 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 112.491 0.552 . . . . 28.07 112.491 177.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -140.69 157.86 44.82 Favored 'General case' 0 CA--C 1.505 -0.768 0 C-N-CA 123.444 0.697 . . . . 30.68 109.729 179.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -60.86 142.92 55.78 Favored 'General case' 0 C--O 1.249 1.028 0 N-CA-C 107.353 -1.351 . . . . 34.85 107.353 166.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -141.52 122.85 14.87 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.096 -0.502 . . . . 28.11 110.62 167.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -99.74 125.86 45.71 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 120.86 0.362 . . . . 30.99 110.676 178.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -56.71 139.96 48.86 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.545 0.943 . . . . 30.59 113.545 -176.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -126.56 -1.72 6.79 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.481 -0.327 . . . . 38.66 111.22 -173.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 p -149.42 166.72 14.59 Favored Pre-proline 0 C--O 1.237 0.405 0 C-N-CA 120.093 -0.643 . . . . 26.04 110.163 170.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -52.58 -29.47 41.0 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.146 1.898 . . . . 24.32 115.12 -176.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . 0.698 ' NH1' ' O ' ' A' ' 68' ' ' HOH . 0.9 OUTLIER -89.64 -4.37 57.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 120.353 -0.539 . . . . 47.19 111.893 -173.394 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -96.41 162.31 13.55 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 112.485 0.55 . . . . 27.72 112.485 -174.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.1 p -128.26 159.95 38.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 107.959 -1.126 . . . . 25.37 107.959 176.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.9 m -96.61 140.06 31.78 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 122.65 0.38 . . . . 25.32 111.14 177.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -137.11 159.54 41.6 Favored 'General case' 0 C--O 1.262 1.724 0 N-CA-C 108.184 -1.043 . . . . 28.98 108.184 175.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -113.22 143.51 44.28 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 106.896 -1.52 . . . . 30.35 106.896 177.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -46.47 133.17 10.17 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 110.591 -0.152 . . . . 30.94 110.591 171.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.18 -15.18 63.75 Favored Glycine 0 CA--C 1.528 0.886 0 O-C-N 123.474 0.484 . . . . 22.59 113.828 179.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -61.42 143.48 55.75 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 117.239 0.519 . . . . 27.61 110.596 177.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.1 mm -107.05 116.27 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.09 0 N-CA-C 107.162 -1.422 . . . . 25.43 107.162 174.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.4 mt -110.95 148.28 32.85 Favored 'General case' 0 CA--C 1.505 -0.783 0 O-C-N 123.711 0.632 . . . . 32.63 110.252 -170.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.7 m -85.84 125.36 33.23 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 108.01 -1.108 . . . . 24.94 108.01 173.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 47.2 tp -83.74 121.93 27.96 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 124.038 0.836 . . . . 27.62 110.138 179.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -103.24 -35.44 8.45 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.422 -0.354 . . . . 26.88 110.916 -177.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -156.79 117.62 3.67 Favored 'General case' 0 C--O 1.249 1.075 0 C-N-CA 118.912 -1.115 . . . . 24.71 110.311 -174.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.3 p -120.05 26.94 8.95 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 120.012 -0.675 . . . . 24.78 112.234 -179.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.1 p -72.15 -25.45 61.71 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 114.165 1.172 . . . . 22.65 114.165 -179.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -86.51 139.51 30.8 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.266 -0.642 . . . . 25.02 109.266 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -73.73 -23.9 59.83 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 116.505 -2.078 . . . . 43.31 114.013 -176.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -101.67 -32.95 10.08 Favored 'General case' 0 C--O 1.247 0.929 0 N-CA-C 115.093 1.516 . . . . 33.25 115.093 -171.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -130.09 122.74 28.88 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.636 -0.505 . . . . 29.53 109.636 -172.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 39.4 m0 -111.27 140.07 46.15 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 118.243 0.474 . . . . 28.12 110.085 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -87.96 123.62 32.87 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 123.38 0.672 . . . . 37.28 109.424 177.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.3 m -129.12 168.26 22.74 Favored 'Isoleucine or valine' 0 C--O 1.246 0.891 0 CA-C-N 115.231 -0.895 . . . . 28.45 109.305 -176.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -117.51 125.87 51.61 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 106.297 -1.742 . . . . 41.4 106.297 174.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.2 t -123.77 111.18 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.806 0 N-CA-C 102.696 -3.075 . . . . 39.32 102.696 -177.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASN . . . . . 0.812 ' OD1' ' OD1' ' A' ' 48' ' ' ASP . 1.1 m-20 47.75 -100.2 0.06 Allowed 'General case' 0 C--O 1.242 0.683 0 O-C-N 125.289 1.618 . . . . 42.81 113.317 -167.482 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . 0.812 ' OD1' ' OD1' ' A' ' 47' ' ' ASN . 12.2 m-20 -112.96 12.56 19.35 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 112.505 0.557 . . . . 39.77 112.505 -176.435 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -120.53 142.32 49.44 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 120.693 -0.403 . . . . 36.91 111.36 179.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -115.97 139.91 49.78 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 122.978 0.174 . . . . 38.58 110.942 174.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.29 -168.42 40.9 Favored Glycine 0 C--O 1.216 -0.973 0 N-CA-C 110.753 -0.939 . . . . 29.37 110.753 175.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -100.9 141.29 33.99 Favored 'General case' 0 N--CA 1.434 -1.228 0 N-CA-C 113.154 0.798 . . . . 27.47 113.154 -170.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.1 m -129.04 161.95 55.04 Favored Pre-proline 0 N--CA 1.482 1.157 0 O-C-N 124.699 1.249 . . . . 27.78 107.998 167.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -65.53 132.39 30.92 Favored 'Trans proline' 0 C--N 1.36 1.167 0 N-CA-C 109.142 -1.138 . . . . 26.61 109.142 179.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.52 -32.28 70.16 Favored 'General case' 0 C--O 1.253 1.248 0 N-CA-C 113.537 0.94 . . . . 26.31 113.537 179.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.07 -18.23 65.24 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 119.945 -0.702 . . . . 25.87 111.485 -177.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -93.48 3.93 54.77 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 119.667 -0.813 . . . . 30.13 112.668 -173.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.1 m -128.47 157.24 41.01 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.115 0 O-C-N 123.742 0.651 . . . . 29.09 111.262 177.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -127.04 123.91 38.1 Favored 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 107.824 -1.176 . . . . 36.98 107.824 178.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -61.47 139.9 58.15 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 110.089 -0.338 . . . . 34.99 110.089 175.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.0 mt . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 113.711 1.004 . . . . 37.58 113.711 178.787 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HOH . . . . . 0.698 ' O ' ' NH1' ' A' ' 21' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 . . . . . 0 N--CA 1.502 2.128 0 N-CA-C 111.875 0.324 . . . . 39.33 111.875 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -115.34 145.61 42.34 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 107.972 -1.121 . . . . 28.19 107.972 -179.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.0 m -128.07 152.82 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 108.406 -0.961 . . . . 28.03 108.406 171.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.2 tp -101.13 130.33 47.17 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 124.546 1.138 . . . . 26.98 108.602 177.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.5 117.73 15.61 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.5 -1.296 . . . . 26.94 107.5 175.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.0 mt -84.84 -24.61 28.54 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 112.491 0.552 . . . . 28.07 112.491 177.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -140.69 157.86 44.82 Favored 'General case' 0 CA--C 1.505 -0.768 0 C-N-CA 123.444 0.697 . . . . 30.68 109.729 179.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -60.86 142.92 55.78 Favored 'General case' 0 C--O 1.249 1.028 0 N-CA-C 107.353 -1.351 . . . . 34.85 107.353 166.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -141.52 122.85 14.87 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 116.096 -0.502 . . . . 28.11 110.62 167.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -99.74 125.86 45.71 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 120.86 0.362 . . . . 30.99 110.676 178.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -56.71 139.96 48.86 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.545 0.943 . . . . 30.59 113.545 -176.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -126.56 -1.72 6.79 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.481 -0.327 . . . . 38.66 111.22 -173.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 p -149.42 166.72 14.59 Favored Pre-proline 0 C--O 1.237 0.405 0 C-N-CA 120.093 -0.643 . . . . 26.04 110.163 170.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -52.58 -29.47 41.0 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.146 1.898 . . . . 24.32 115.12 -176.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.698 ' NH1' ' O ' ' A' ' 68' ' ' HOH . 0.9 OUTLIER -89.64 -4.37 57.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 120.353 -0.539 . . . . 47.19 111.893 -173.394 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -96.41 162.31 13.55 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 112.485 0.55 . . . . 27.72 112.485 -174.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.1 p -128.26 159.95 38.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 107.959 -1.126 . . . . 25.37 107.959 176.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.9 m -96.61 140.06 31.78 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 122.65 0.38 . . . . 25.32 111.14 177.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -137.11 159.54 41.6 Favored 'General case' 0 C--O 1.262 1.724 0 N-CA-C 108.184 -1.043 . . . . 28.98 108.184 175.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -113.22 143.51 44.28 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 106.896 -1.52 . . . . 30.35 106.896 177.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -46.47 133.17 10.17 Favored 'General case' 0 C--O 1.247 0.942 0 N-CA-C 110.591 -0.152 . . . . 30.94 110.591 171.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.18 -15.18 63.75 Favored Glycine 0 CA--C 1.528 0.886 0 O-C-N 123.474 0.484 . . . . 22.59 113.828 179.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -61.42 143.48 55.75 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 117.239 0.519 . . . . 27.61 110.596 177.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.1 mm -107.05 116.27 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.09 0 N-CA-C 107.162 -1.422 . . . . 25.43 107.162 174.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.4 mt -110.95 148.28 32.85 Favored 'General case' 0 CA--C 1.505 -0.783 0 O-C-N 123.711 0.632 . . . . 32.63 110.252 -170.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.7 m -85.84 125.36 33.23 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 108.01 -1.108 . . . . 24.94 108.01 173.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 47.2 tp -83.74 121.93 27.96 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 124.038 0.836 . . . . 27.62 110.138 179.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.4 mt -103.24 -35.44 8.45 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.422 -0.354 . . . . 26.88 110.916 -177.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -156.79 117.62 3.67 Favored 'General case' 0 C--O 1.249 1.075 0 C-N-CA 118.912 -1.115 . . . . 24.71 110.311 -174.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.3 p -120.05 26.94 8.95 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 120.012 -0.675 . . . . 24.78 112.234 -179.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.1 p -72.15 -25.45 61.71 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 114.165 1.172 . . . . 22.65 114.165 -179.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -86.51 139.51 30.8 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.266 -0.642 . . . . 25.02 109.266 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -73.73 -23.9 59.83 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 116.505 -2.078 . . . . 43.31 114.013 -176.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -101.67 -32.95 10.08 Favored 'General case' 0 C--O 1.247 0.929 0 N-CA-C 115.093 1.516 . . . . 33.25 115.093 -171.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -130.09 122.74 28.88 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.636 -0.505 . . . . 29.53 109.636 -172.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 39.4 m0 -111.27 140.07 46.15 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 118.243 0.474 . . . . 28.12 110.085 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -87.96 123.62 32.87 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 123.38 0.672 . . . . 37.28 109.424 177.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.3 m -129.12 168.26 22.74 Favored 'Isoleucine or valine' 0 C--O 1.246 0.891 0 CA-C-N 115.231 -0.895 . . . . 28.45 109.305 -176.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -117.51 125.87 51.61 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 106.297 -1.742 . . . . 41.4 106.297 174.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.2 t -123.77 111.18 28.04 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.806 0 N-CA-C 102.696 -3.075 . . . . 39.32 102.696 -177.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.962 ' ND2' ' OD1' ' A' ' 48' ' ' ASP . 0.1 OUTLIER 47.75 -100.2 0.06 Allowed 'General case' 0 C--O 1.242 0.683 0 O-C-N 125.289 1.618 . . . . 42.81 113.317 -167.482 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.962 ' OD1' ' ND2' ' A' ' 47' ' ' ASN . 12.2 m-20 -112.96 12.56 19.35 Favored 'General case' 0 CA--C 1.528 0.118 0 N-CA-C 112.505 0.557 . . . . 39.77 112.505 -176.435 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -120.53 142.32 49.44 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 120.693 -0.403 . . . . 36.91 111.36 179.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -115.97 139.91 49.78 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 122.978 0.174 . . . . 38.58 110.942 174.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.29 -168.42 40.9 Favored Glycine 0 C--O 1.216 -0.973 0 N-CA-C 110.753 -0.939 . . . . 29.37 110.753 175.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -100.9 141.29 33.99 Favored 'General case' 0 N--CA 1.434 -1.228 0 N-CA-C 113.154 0.798 . . . . 27.47 113.154 -170.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.1 m -129.04 161.95 55.04 Favored Pre-proline 0 N--CA 1.482 1.157 0 O-C-N 124.699 1.249 . . . . 27.78 107.998 167.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -65.53 132.39 30.92 Favored 'Trans proline' 0 C--N 1.36 1.167 0 N-CA-C 109.142 -1.138 . . . . 26.61 109.142 179.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.52 -32.28 70.16 Favored 'General case' 0 C--O 1.253 1.248 0 N-CA-C 113.537 0.94 . . . . 26.31 113.537 179.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.07 -18.23 65.24 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 119.945 -0.702 . . . . 25.87 111.485 -177.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -93.48 3.93 54.77 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 119.667 -0.813 . . . . 30.13 112.668 -173.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.1 m -128.47 157.24 41.01 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.115 0 O-C-N 123.742 0.651 . . . . 29.09 111.262 177.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -127.04 123.91 38.1 Favored 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 107.824 -1.176 . . . . 36.98 107.824 178.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -61.47 139.9 58.15 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 110.089 -0.338 . . . . 34.99 110.089 175.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.0 mt . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 113.711 1.004 . . . . 37.58 113.711 178.787 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HOH . . . . . 0.698 ' O ' ' NH1' ' A' ' 21' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_