data_4ozk_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 4ozk _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 ' 2' ' ' ALA . . . . . 0.564 ' O ' ' O ' ' A' ' 101' ' ' HOH . . . . . . . . 0 C--O 1.239 0.52 0 CA-C-O 120.821 0.343 . . . . 17.23 110.686 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.5 p -159.38 153.95 24.26 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.385 0.612 . . . . 21.66 110.188 174.213 61.392 -162.568 86.847 102.889 2.025 102.311 -81.082 -61.867 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -151.98 144.29 24.02 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.495 -0.775 . . . . 42.859999999999999 109.478 176.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.9 m -100.27 154.53 37.16 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 108.4 -0.963 . . . . 26.449999999999999 108.4 176.357 -69.725 -78.511 -77.081 103.119 2.024 106.233 -54.346 -62.804 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.52 -36.9 98.59 Favored 'Trans proline' 0 C--O 1.239 0.53 0 O-C-N 122.915 0.955 . . . . 32.840000000000003 112.913 -179.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -117.47 -62.71 1.53 Allowed 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.38 0.425 . . . . 42.289999999999999 111.901 174.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -157.52 155.15 29.79 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 112.748 0.647 . . . . 21.16 112.748 -176.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.3 mt -80.57 130.13 36.43 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 CA-C-N 114.621 -1.172 . . . . 23.510000000000002 109.539 169.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.0 p -109.55 -13.02 14.62 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.476 0.547 . . . . 25.57 112.476 178.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.77 175.77 39.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.326 -0.94 . . . . 21.789999999999999 113.791 -173.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -146.41 130.83 17.66 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 109.308 -0.626 . . . . 52.240000000000002 109.308 -172.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.1 p -148.56 175.43 11.17 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.016 0.526 . . . . 38.719999999999999 110.78 -179.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -157.73 150.84 23.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.591 . . . . 30.059999999999999 110.641 177.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.3 p -69.8 170.18 11.55 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.434 0.635 . . . . 22.539999999999999 109.418 169.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -84.33 151.77 24.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.9 -0.591 . . . . 51.039999999999999 112.162 176.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -57.3 141.13 47.96 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.783 -0.644 . . . . 27.43 112.566 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -128.75 151.54 49.44 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 105.257 -2.127 . . . . 65.319999999999993 105.257 176.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.0 t -82.92 131.2 35.2 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 119.425 -0.91 . . . . 43.659999999999997 110.242 173.4 -174.757 61.497 98.123 104.895 2.038 94.963 114.065 55.522 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -87.61 115.41 25.02 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 109.672 -0.492 . . . . 32.439999999999998 109.672 170.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.98 -25.01 69.02 Favored Glycine 0 C--N 1.333 0.378 0 N-CA-C 115.66 1.024 . . . . 33.93 115.66 -173.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.8 mt -95.32 -39.96 9.77 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.527 0.68 . . . . 30.940000000000001 111.177 -177.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -82.25 -17.36 46.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.681 -0.69 . . . . 34.590000000000003 110.605 -178.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 53.87 46.19 26.21 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.963 0.79 . . . . 48.649999999999999 110.845 -176.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -152.98 145.45 24.12 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 114.812 -1.085 . . . . 61.619999999999997 108.111 -176.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.2 mtm -84.5 142.87 29.73 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 112.428 0.529 . . . . 55.719999999999999 112.428 -177.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -135.57 156.53 48.73 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.469 0.652 . . . . 25.420000000000002 110.533 177.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -145.6 167.99 21.73 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 108.564 -0.902 . . . . 31.390000000000001 108.564 168.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -107.18 127.05 53.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 20.710000000000001 110.536 -176.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.8 t -94.93 125.01 47.65 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-O 121.338 0.589 . . . . 18.670000000000002 110.836 177.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -117.16 131.08 56.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.538 -0.755 . . . . 30.449999999999999 110.096 -175.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.34 144.82 26.17 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.768 -1.197 . . . . 22.629999999999999 107.768 169.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.9 mt -94.23 129.51 44.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 107.74 -1.207 . . . . 20.25 107.74 172.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.1 m -90.3 153.79 20.19 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 121.004 -0.279 . . . . 20.41 111.411 -178.565 -62.804 -54.346 -77.081 106.233 2.024 103.119 -78.511 -69.725 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.7 mtm -53.48 -35.32 60.46 Favored 'General case' 0 CA--C 1.515 -0.395 0 O-C-N 123.321 0.388 . . . . 40.079999999999998 111.401 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -77.29 -5.57 49.93 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.045 1.128 . . . . 31.43 114.045 -176.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.17 -13.74 37.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.084 -0.579 . . . . 28.52 113.255 174.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.8 p -79.1 165.43 23.36 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.872 0.368 . . . . 28.260000000000002 111.76 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -117.19 149.39 40.46 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 108.509 -0.923 . . . . 36.909999999999997 108.509 171.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.1 m -129.73 135.54 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.172 -1.047 . . . . 18.43 108.172 177.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -78.38 115.65 18.24 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 106.442 -1.688 . . . . 23.43 106.442 -179.788 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 72.9 m -99.84 -46.33 5.42 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.417 1.636 . . . . 28.510000000000002 115.417 -172.668 -61.867 -81.082 86.847 102.311 2.025 102.889 -162.568 61.392 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -153.41 166.11 33.68 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.848 0.833 . . . . 68.239999999999995 111.827 176.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.9 m -101.81 122.91 44.86 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 105.398 -2.075 . . . . 30.559999999999999 105.398 169.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -97.23 128.85 44.47 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.507 -0.477 . . . . 33.380000000000003 109.864 175.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -102.7 136.59 42.26 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.811 -0.356 . . . . 34.299999999999997 110.624 179.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -114.34 -140.71 7.46 Favored Glycine 0 C--N 1.336 0.566 0 CA-C-N 116.124 -0.489 . . . . 23.449999999999999 112.935 -173.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.0 p -81.09 176.27 9.95 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.068 1.136 . . . . 39.479999999999997 114.068 -178.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.6 m -75.92 163.27 27.36 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 115.505 1.668 . . . . 51.420000000000002 115.505 -175.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.7 p . . . . . 0 C--O 1.233 0.22 0 CA-C-N 115.076 -0.966 . . . . 43.799999999999997 111.328 178.506 55.522 114.065 98.123 94.963 2.038 104.895 61.497 -174.757 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.564 ' O ' ' O ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ALA . . . . . 0.564 ' O ' ' O ' ' A' ' 101' ' ' HOH . . . . . . . . 0 C--O 1.239 0.52 0 CA-C-O 120.821 0.343 . . . . 17.23 110.686 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . 0.416 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 28.5 p -159.38 153.95 24.26 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.385 0.612 . . . . 21.66 110.188 174.213 61.392 -162.568 86.847 102.889 2.025 102.311 -81.082 -61.867 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -151.98 144.29 24.02 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.495 -0.775 . . . . 42.859999999999999 109.478 176.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.9 m -100.27 154.53 37.16 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 108.4 -0.963 . . . . 26.449999999999999 108.4 176.357 -69.725 -78.511 -77.081 103.119 2.024 106.233 -54.346 -62.804 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.52 -36.9 98.59 Favored 'Trans proline' 0 C--O 1.239 0.53 0 O-C-N 122.915 0.955 . . . . 32.840000000000003 112.913 -179.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -117.47 -62.71 1.53 Allowed 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.38 0.425 . . . . 42.289999999999999 111.901 174.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -157.52 155.15 29.79 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 112.748 0.647 . . . . 21.16 112.748 -176.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.3 mt -80.57 130.13 36.43 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 CA-C-N 114.621 -1.172 . . . . 23.510000000000002 109.539 169.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.0 p -109.55 -13.02 14.62 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.476 0.547 . . . . 25.57 112.476 178.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.77 175.77 39.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.326 -0.94 . . . . 21.789999999999999 113.791 -173.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -146.41 130.83 17.66 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 109.308 -0.626 . . . . 52.240000000000002 109.308 -172.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.1 p -148.56 175.43 11.17 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.016 0.526 . . . . 38.719999999999999 110.78 -179.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -157.73 150.84 23.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.591 . . . . 30.059999999999999 110.641 177.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.3 p -69.8 170.18 11.55 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.434 0.635 . . . . 22.539999999999999 109.418 169.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -84.33 151.77 24.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.9 -0.591 . . . . 51.039999999999999 112.162 176.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -57.3 141.13 47.96 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.783 -0.644 . . . . 27.43 112.566 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -128.75 151.54 49.44 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 105.257 -2.127 . . . . 65.319999999999993 105.257 176.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.0 t -82.92 131.2 35.2 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 119.425 -0.91 . . . . 43.659999999999997 110.242 173.4 -174.757 61.497 98.123 104.895 2.038 94.963 114.065 55.522 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -87.61 115.41 25.02 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 109.672 -0.492 . . . . 32.439999999999998 109.672 170.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.98 -25.01 69.02 Favored Glycine 0 C--N 1.333 0.378 0 N-CA-C 115.66 1.024 . . . . 33.93 115.66 -173.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.8 mt -95.32 -39.96 9.77 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.527 0.68 . . . . 30.940000000000001 111.177 -177.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -82.25 -17.36 46.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.681 -0.69 . . . . 34.590000000000003 110.605 -178.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 53.87 46.19 26.21 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.963 0.79 . . . . 48.649999999999999 110.845 -176.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -152.98 145.45 24.12 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 114.812 -1.085 . . . . 61.619999999999997 108.111 -176.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.2 mtm -84.5 142.87 29.73 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 112.428 0.529 . . . . 55.719999999999999 112.428 -177.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -135.57 156.53 48.73 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.469 0.652 . . . . 25.420000000000002 110.533 177.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -145.6 167.99 21.73 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 108.564 -0.902 . . . . 31.390000000000001 108.564 168.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -107.18 127.05 53.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 20.710000000000001 110.536 -176.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.8 t -94.93 125.01 47.65 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-O 121.338 0.589 . . . . 18.670000000000002 110.836 177.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -117.16 131.08 56.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.538 -0.755 . . . . 30.449999999999999 110.096 -175.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.34 144.82 26.17 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.768 -1.197 . . . . 22.629999999999999 107.768 169.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.9 mt -94.23 129.51 44.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 107.74 -1.207 . . . . 20.25 107.74 172.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.1 m -90.3 153.79 20.19 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 121.004 -0.279 . . . . 20.41 111.411 -178.565 -62.804 -54.346 -77.081 106.233 2.024 103.119 -78.511 -69.725 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.7 mtm -53.48 -35.32 60.46 Favored 'General case' 0 CA--C 1.515 -0.395 0 O-C-N 123.321 0.388 . . . . 40.079999999999998 111.401 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -77.29 -5.57 49.93 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.045 1.128 . . . . 31.43 114.045 -176.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.17 -13.74 37.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.084 -0.579 . . . . 28.52 113.255 174.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.8 p -79.1 165.43 23.36 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.872 0.368 . . . . 28.260000000000002 111.76 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -117.19 149.39 40.46 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 108.509 -0.923 . . . . 36.909999999999997 108.509 171.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.1 m -129.73 135.54 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.172 -1.047 . . . . 18.43 108.172 177.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -78.38 115.65 18.24 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 106.442 -1.688 . . . . 23.43 106.442 -179.788 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' CYS . . . . . 0.416 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . 72.9 m -99.84 -46.33 5.42 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.417 1.636 . . . . 28.510000000000002 115.417 -172.668 -61.867 -81.082 86.847 102.311 2.025 102.889 -162.568 61.392 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -153.41 166.11 33.68 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.848 0.833 . . . . 68.239999999999995 111.827 176.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.9 m -101.81 122.91 44.86 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 105.398 -2.075 . . . . 30.559999999999999 105.398 169.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -97.23 128.85 44.47 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.507 -0.477 . . . . 33.380000000000003 109.864 175.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -102.7 136.59 42.26 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.811 -0.356 . . . . 34.299999999999997 110.624 179.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -114.34 -140.71 7.46 Favored Glycine 0 C--N 1.336 0.566 0 CA-C-N 116.124 -0.489 . . . . 23.449999999999999 112.935 -173.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.0 p -81.09 176.27 9.95 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.068 1.136 . . . . 39.479999999999997 114.068 -178.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.6 m -75.92 163.27 27.36 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 115.505 1.668 . . . . 51.420000000000002 115.505 -175.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.7 p . . . . . 0 C--O 1.233 0.22 0 CA-C-N 115.076 -0.966 . . . . 43.799999999999997 111.328 178.506 55.522 114.065 98.123 94.963 2.038 104.895 61.497 -174.757 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.564 ' O ' ' O ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.564 ' O ' ' O ' ' A' ' 101' ' ' HOH . . . . . . . . 0 C--O 1.239 0.52 0 CA-C-O 120.821 0.343 . . . . 17.23 110.686 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.416 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 28.5 p -159.38 153.95 24.26 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.385 0.612 . . . . 21.66 110.188 174.213 61.392 -162.568 86.847 102.889 2.025 102.311 -81.082 -61.867 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -151.98 144.29 24.02 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.495 -0.775 . . . . 42.859999999999999 109.478 176.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.9 m -100.27 154.53 37.16 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 108.4 -0.963 . . . . 26.449999999999999 108.4 176.357 -69.725 -78.511 -77.081 103.119 2.024 106.233 -54.346 -62.804 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -57.52 -36.9 98.59 Favored 'Trans proline' 0 C--O 1.239 0.53 0 O-C-N 122.915 0.955 . . . . 32.840000000000003 112.913 -179.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -117.47 -62.71 1.53 Allowed 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.38 0.425 . . . . 42.289999999999999 111.901 174.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -157.52 155.15 29.79 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 112.748 0.647 . . . . 21.16 112.748 -176.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.3 mt -80.57 130.13 36.43 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 CA-C-N 114.621 -1.172 . . . . 23.510000000000002 109.539 169.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.0 p -109.55 -13.02 14.62 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.476 0.547 . . . . 25.57 112.476 178.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.77 175.77 39.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.326 -0.94 . . . . 21.789999999999999 113.791 -173.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -146.41 130.83 17.66 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 109.308 -0.626 . . . . 52.240000000000002 109.308 -172.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.1 p -148.56 175.43 11.17 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.016 0.526 . . . . 38.719999999999999 110.78 -179.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -157.73 150.84 23.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.591 . . . . 30.059999999999999 110.641 177.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.3 p -69.8 170.18 11.55 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.434 0.635 . . . . 22.539999999999999 109.418 169.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -84.33 151.77 24.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.9 -0.591 . . . . 51.039999999999999 112.162 176.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -57.3 141.13 47.96 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.783 -0.644 . . . . 27.43 112.566 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -128.75 151.54 49.44 Favored 'General case' 0 CA--C 1.499 -1.016 0 N-CA-C 105.257 -2.127 . . . . 65.319999999999993 105.257 176.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.0 t -82.92 131.2 35.2 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 119.425 -0.91 . . . . 43.659999999999997 110.242 173.4 -174.757 61.497 98.123 104.895 2.038 94.963 114.065 55.522 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -87.61 115.41 25.02 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 109.672 -0.492 . . . . 32.439999999999998 109.672 170.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.98 -25.01 69.02 Favored Glycine 0 C--N 1.333 0.378 0 N-CA-C 115.66 1.024 . . . . 33.93 115.66 -173.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.8 mt -95.32 -39.96 9.77 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.527 0.68 . . . . 30.940000000000001 111.177 -177.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -82.25 -17.36 46.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.681 -0.69 . . . . 34.590000000000003 110.605 -178.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 53.87 46.19 26.21 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.963 0.79 . . . . 48.649999999999999 110.845 -176.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -152.98 145.45 24.12 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 114.812 -1.085 . . . . 61.619999999999997 108.111 -176.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.2 mtm -84.5 142.87 29.73 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 112.428 0.529 . . . . 55.719999999999999 112.428 -177.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -135.57 156.53 48.73 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.469 0.652 . . . . 25.420000000000002 110.533 177.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -145.6 167.99 21.73 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 108.564 -0.902 . . . . 31.390000000000001 108.564 168.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -107.18 127.05 53.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 20.710000000000001 110.536 -176.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.8 t -94.93 125.01 47.65 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-O 121.338 0.589 . . . . 18.670000000000002 110.836 177.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -117.16 131.08 56.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.538 -0.755 . . . . 30.449999999999999 110.096 -175.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.34 144.82 26.17 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 107.768 -1.197 . . . . 22.629999999999999 107.768 169.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.9 mt -94.23 129.51 44.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 107.74 -1.207 . . . . 20.25 107.74 172.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.1 m -90.3 153.79 20.19 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 121.004 -0.279 . . . . 20.41 111.411 -178.565 -62.804 -54.346 -77.081 106.233 2.024 103.119 -78.511 -69.725 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.7 mtm -53.48 -35.32 60.46 Favored 'General case' 0 CA--C 1.515 -0.395 0 O-C-N 123.321 0.388 . . . . 40.079999999999998 111.401 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -77.29 -5.57 49.93 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.045 1.128 . . . . 31.43 114.045 -176.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.17 -13.74 37.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.084 -0.579 . . . . 28.52 113.255 174.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.8 p -79.1 165.43 23.36 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.872 0.368 . . . . 28.260000000000002 111.76 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -117.19 149.39 40.46 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 108.509 -0.923 . . . . 36.909999999999997 108.509 171.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.1 m -129.73 135.54 61.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.172 -1.047 . . . . 18.43 108.172 177.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -78.38 115.65 18.24 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 106.442 -1.688 . . . . 23.43 106.442 -179.788 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.416 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . 72.9 m -99.84 -46.33 5.42 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.417 1.636 . . . . 28.510000000000002 115.417 -172.668 -61.867 -81.082 86.847 102.311 2.025 102.889 -162.568 61.392 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -153.41 166.11 33.68 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.848 0.833 . . . . 68.239999999999995 111.827 176.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.9 m -101.81 122.91 44.86 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 105.398 -2.075 . . . . 30.559999999999999 105.398 169.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -97.23 128.85 44.47 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.507 -0.477 . . . . 33.380000000000003 109.864 175.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -102.7 136.59 42.26 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.811 -0.356 . . . . 34.299999999999997 110.624 179.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -114.34 -140.71 7.46 Favored Glycine 0 C--N 1.336 0.566 0 CA-C-N 116.124 -0.489 . . . . 23.449999999999999 112.935 -173.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.0 p -81.09 176.27 9.95 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.068 1.136 . . . . 39.479999999999997 114.068 -178.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.6 m -75.92 163.27 27.36 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 115.505 1.668 . . . . 51.420000000000002 115.505 -175.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.7 p . . . . . 0 C--O 1.233 0.22 0 CA-C-N 115.076 -0.966 . . . . 43.799999999999997 111.328 178.506 55.522 114.065 98.123 94.963 2.038 104.895 61.497 -174.757 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.564 ' O ' ' O ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_