data_6jqs_residue ############################ # Computer software used # ############################ 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 6jqs _Structure_validation_residue.Date_analyzed 2019-04-19 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 ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.011 0 CA-C-O 118.72 -0.657 . . . . 91.42 109.445 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.1 t -98.8 172.29 7.54 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.702 1.601 . . . . 78.7 110.336 -175.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tp -89.74 -20.71 23.24 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 125.952 1.701 . . . . 74.0 108.306 175.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mt -113.3 154.33 27.01 Favored 'General case' 0 C--O 1.256 1.434 0 C-N-CA 125.567 1.547 . . . . 62.95 109.38 177.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.3 p -71.92 158.08 36.68 Favored 'General case' 0 C--O 1.27 2.135 0 CA-C-O 116.636 -1.649 . . . . 52.02 106.997 161.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.82 -41.27 20.06 Favored Glycine 0 C--O 1.249 1.041 0 O-C-N 127.227 2.829 . . . . 45.86 111.146 168.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -66.6 -51.31 57.76 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 115.473 -2.204 . . . . 57.28 108.944 -176.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -55.73 -47.09 77.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 125.752 1.907 . . . . 55.12 108.348 179.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.0 ttm105 -61.51 -41.75 97.76 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 118.846 0.748 . . . . 54.1 110.005 178.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -66.46 -40.41 89.39 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 118.059 -0.972 . . . . 63.8 109.838 179.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.9 mt -58.31 -49.97 80.09 Favored 'Isoleucine or valine' 0 C--O 1.268 2.049 0 CA-C-N 118.826 0.739 . . . . 34.18 111.123 176.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -68.58 -36.45 78.75 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 116.286 -1.816 . . . . 34.12 109.56 -177.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -59.78 -34.85 73.55 Favored 'General case' 0 N--CA 1.505 2.29 0 CA-C-N 120.277 1.399 . . . . 39.15 109.924 174.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.6 mt -75.09 -36.81 61.68 Favored 'General case' 0 C--O 1.25 1.104 0 CA-C-O 116.147 -1.883 . . . . 49.53 112.663 175.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.7 mt -58.3 -44.31 88.5 Favored 'General case' 0 C--O 1.194 -1.826 0 CA-C-N 120.916 1.689 . . . . 39.48 108.74 171.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -50.69 -38.3 16.79 Favored 'Isoleucine or valine' 0 C--O 1.283 2.823 0 C-N-CA 117.547 -1.661 . . . . 35.1 109.108 177.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -85.84 15.86 4.53 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 117.857 -1.068 . . . . 55.46 111.633 -175.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 t0 68.89 26.18 5.92 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.528 1.531 . . . . 52.87 110.468 170.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -73.27 138.26 45.4 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.479 -0.934 . . . . 68.12 108.479 170.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.0 p -70.82 160.57 32.5 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.186 0.994 . . . . 46.6 109.806 164.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.27 65.4 p -61.99 -30.22 70.79 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 107.681 -1.229 . . . . 45.05 107.681 179.031 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -68.76 -49.94 54.57 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 116.674 -1.631 . . . . 72.62 109.912 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -54.11 -45.64 71.93 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 119.112 0.869 . . . . 61.8 110.4 171.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 mt -63.44 -41.74 93.77 Favored 'Isoleucine or valine' 0 C--O 1.269 2.125 0 N-CA-C 108.878 -0.786 . . . . 41.81 108.878 -174.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 99.3 p -67.09 -43.45 82.54 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 108.309 -0.997 . . . . 52.45 108.309 -173.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 83.5 mt -55.95 -60.16 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 124.744 1.278 . . . . 60.11 108.618 172.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -56.78 -42.44 79.44 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 117.139 -1.41 . . . . 65.54 112.045 -176.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.1 mt -91.49 -7.55 50.14 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-N 120.079 1.308 . . . . 56.69 111.076 -175.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 64.43 57.86 1.13 Allowed 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 125.832 1.653 . . . . 83.2 108.42 174.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.2 pt -142.65 171.16 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 106.438 -1.69 . . . . 52.49 106.438 177.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 p -78.56 154.94 29.96 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 119.586 -0.846 . . . . 41.81 108.78 -177.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -67.02 -31.68 72.4 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 118.534 -0.746 . . . . 56.49 109.391 177.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -59.97 -38.75 83.39 Favored 'General case' 0 C--O 1.281 2.762 0 CA-C-O 117.668 -1.158 . . . . 38.34 110.154 177.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.7 m -71.61 -41.84 68.42 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 125.551 1.782 . . . . 39.03 107.735 -177.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.58 -52.59 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 124.805 1.316 . . . . 34.3 108.749 176.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -55.46 -46.11 76.82 Favored 'General case' 0 C--O 1.277 2.533 0 CA-C-O 117.914 -1.041 . . . . 83.59 112.541 176.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -67.32 -32.42 73.37 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 118.273 -0.87 . . . . 36.72 109.242 -178.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -67.08 -45.4 77.43 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 118.706 0.685 . . . . 44.92 110.31 177.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 80.5 mt -58.95 -49.14 84.19 Favored 'Isoleucine or valine' 0 C--O 1.267 2.014 0 N-CA-C 106.901 -1.518 . . . . 31.81 106.901 177.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.7 m -59.85 -43.44 94.65 Favored 'General case' 0 C--O 1.274 2.354 0 CA-C-N 118.721 0.691 . . . . 36.61 110.41 -178.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -61.44 -43.23 99.23 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 125.35 1.656 . . . . 49.16 109.63 -179.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.6 m -67.98 -42.74 80.38 Favored 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 108.039 -1.097 . . . . 32.93 108.039 -175.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.6 mt -53.35 -45.35 56.5 Favored 'Isoleucine or valine' 0 C--O 1.271 2.189 0 N-CA-C 108.179 -1.045 . . . . 35.44 108.179 178.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -71.71 -45.02 63.14 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 124.339 1.024 . . . . 61.51 108.576 -176.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -57.0 -42.53 80.46 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-N 118.852 0.751 . . . . 69.06 109.392 178.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.1 mt -81.51 -15.68 54.17 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 117.011 -1.471 . . . . 40.39 110.438 -172.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.22 31.93 58.84 Favored Glycine 0 C--O 1.26 1.767 0 C-N-CA 126.966 2.222 . . . . 38.79 113.436 -178.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.2 m -108.09 169.83 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 106.147 -1.798 . . . . 38.04 106.147 -165.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.1 p -85.52 -13.67 48.31 Favored 'General case' 0 C--O 1.265 1.886 0 O-C-N 125.242 1.589 . . . . 48.46 112.272 -168.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.08 -169.39 41.85 Favored Glycine 0 C--O 1.276 2.746 0 CA-C-O 118.19 -1.339 . . . . 36.12 114.012 -176.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -67.11 -42.6 84.23 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 117.218 -1.372 . . . . 53.88 110.136 -168.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.2 t -58.83 -50.52 73.66 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 125.066 1.479 . . . . 41.64 109.383 -177.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -68.16 -32.49 72.78 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-O 116.842 -1.551 . . . . 46.59 109.158 -179.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.75 -54.44 47.08 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 120.775 1.625 . . . . 31.67 109.661 172.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.1 mt -49.88 -53.72 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 CA-C-O 117.11 -1.424 . . . . 35.43 109.417 175.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.79 -38.99 92.84 Favored 'General case' 0 C--O 1.26 1.649 0 N-CA-C 107.345 -1.354 . . . . 33.4 107.345 -173.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -61.0 -43.28 99.11 Favored 'General case' 0 C--O 1.281 2.732 0 CA-C-N 119.139 0.881 . . . . 47.36 111.429 177.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.1 mt -75.1 -33.84 61.66 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 124.928 1.392 . . . . 35.04 109.371 -177.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.1 mt -62.86 -43.74 98.0 Favored 'General case' 0 N--CA 1.508 2.458 0 CA-C-N 120.56 1.527 . . . . 39.36 109.299 167.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -64.38 -29.79 70.84 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 119.816 1.189 . . . . 39.59 110.614 -178.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.2 mt -87.19 -5.0 59.14 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 116.699 -1.619 . . . . 45.84 111.68 -177.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.24 14.37 81.75 Favored Glycine 0 N--CA 1.474 1.231 0 CA-C-O 117.463 -1.743 . . . . 45.54 113.279 -178.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -82.66 -22.6 34.55 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.253 1.526 . . . . 50.22 113.971 -178.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.6 mt -125.26 159.82 30.73 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 107.452 -1.314 . . . . 35.57 107.452 -178.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.5 p -107.47 154.63 21.08 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 124.482 1.114 . . . . 49.97 108.774 163.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 tp -64.22 -24.39 67.65 Favored 'General case' 0 C--O 1.272 2.288 0 C-N-CA 125.248 1.419 . . . . 50.53 111.629 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 115.079 -2.391 . . . . 57.63 109.88 -174.216 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.011 0 CA-C-O 118.72 -0.657 . . . . 91.42 109.445 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.1 t -98.8 172.29 7.54 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.702 1.601 . . . . 78.7 110.336 -175.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tp -89.74 -20.71 23.24 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 125.952 1.701 . . . . 74.0 108.306 175.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . 0.468 HD11 HD22 ' A' ' 66' ' ' LEU . 3.8 mt -113.3 154.33 27.01 Favored 'General case' 0 C--O 1.256 1.434 0 C-N-CA 125.567 1.547 . . . . 62.95 109.38 177.557 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.3 p -71.92 158.08 36.68 Favored 'General case' 0 C--O 1.27 2.135 0 CA-C-O 116.636 -1.649 . . . . 52.02 106.997 161.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.82 -41.27 20.06 Favored Glycine 0 C--O 1.249 1.041 0 O-C-N 127.227 2.829 . . . . 45.86 111.146 168.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -66.6 -51.31 57.76 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 115.473 -2.204 . . . . 57.28 108.944 -176.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -55.73 -47.09 77.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 125.752 1.907 . . . . 55.12 108.348 179.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.0 ttm105 -61.51 -41.75 97.76 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 118.846 0.748 . . . . 54.1 110.005 178.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -66.46 -40.41 89.39 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 118.059 -0.972 . . . . 63.8 109.838 179.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.9 mt -58.31 -49.97 80.09 Favored 'Isoleucine or valine' 0 C--O 1.268 2.049 0 CA-C-N 118.826 0.739 . . . . 34.18 111.123 176.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -68.58 -36.45 78.75 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 116.286 -1.816 . . . . 34.12 109.56 -177.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -59.78 -34.85 73.55 Favored 'General case' 0 N--CA 1.505 2.29 0 CA-C-N 120.277 1.399 . . . . 39.15 109.924 174.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.6 mt -75.09 -36.81 61.68 Favored 'General case' 0 C--O 1.25 1.104 0 CA-C-O 116.147 -1.883 . . . . 49.53 112.663 175.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.7 mt -58.3 -44.31 88.5 Favored 'General case' 0 C--O 1.194 -1.826 0 CA-C-N 120.916 1.689 . . . . 39.48 108.74 171.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -50.69 -38.3 16.79 Favored 'Isoleucine or valine' 0 C--O 1.283 2.823 0 C-N-CA 117.547 -1.661 . . . . 35.1 109.108 177.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -85.84 15.86 4.53 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 117.857 -1.068 . . . . 55.46 111.633 -175.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 t0 68.89 26.18 5.92 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.528 1.531 . . . . 52.87 110.468 170.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -73.27 138.26 45.4 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.479 -0.934 . . . . 68.12 108.479 170.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.0 p -70.82 160.57 32.5 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.186 0.994 . . . . 46.6 109.806 164.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.27 65.4 p -61.99 -30.22 70.79 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 107.681 -1.229 . . . . 45.05 107.681 179.031 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -68.76 -49.94 54.57 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 116.674 -1.631 . . . . 72.62 109.912 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -54.11 -45.64 71.93 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 119.112 0.869 . . . . 61.8 110.4 171.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 mt -63.44 -41.74 93.77 Favored 'Isoleucine or valine' 0 C--O 1.269 2.125 0 N-CA-C 108.878 -0.786 . . . . 41.81 108.878 -174.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 38' ' ' ILE . 99.3 p -67.09 -43.45 82.54 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 108.309 -0.997 . . . . 52.45 108.309 -173.701 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 83.5 mt -55.95 -60.16 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 124.744 1.278 . . . . 60.11 108.618 172.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -56.78 -42.44 79.44 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 117.139 -1.41 . . . . 65.54 112.045 -176.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.1 mt -91.49 -7.55 50.14 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-N 120.079 1.308 . . . . 56.69 111.076 -175.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 64.43 57.86 1.13 Allowed 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 125.832 1.653 . . . . 83.2 108.42 174.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . 0.429 ' O ' ' HB2' ' A' ' 33' ' ' SER . 42.2 pt -142.65 171.16 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 106.438 -1.69 . . . . 52.49 106.438 177.254 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 p -78.56 154.94 29.96 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 119.586 -0.846 . . . . 41.81 108.78 -177.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -67.02 -31.68 72.4 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 118.534 -0.746 . . . . 56.49 109.391 177.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -59.97 -38.75 83.39 Favored 'General case' 0 C--O 1.281 2.762 0 CA-C-O 117.668 -1.158 . . . . 38.34 110.154 177.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.7 m -71.61 -41.84 68.42 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 125.551 1.782 . . . . 39.03 107.735 -177.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.58 -52.59 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 124.805 1.316 . . . . 34.3 108.749 176.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -55.46 -46.11 76.82 Favored 'General case' 0 C--O 1.277 2.533 0 CA-C-O 117.914 -1.041 . . . . 83.59 112.541 176.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -67.32 -32.42 73.37 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 118.273 -0.87 . . . . 36.72 109.242 -178.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -67.08 -45.4 77.43 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 118.706 0.685 . . . . 44.92 110.31 177.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 80.5 mt -58.95 -49.14 84.19 Favored 'Isoleucine or valine' 0 C--O 1.267 2.014 0 N-CA-C 106.901 -1.518 . . . . 31.81 106.901 177.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.7 m -59.85 -43.44 94.65 Favored 'General case' 0 C--O 1.274 2.354 0 CA-C-N 118.721 0.691 . . . . 36.61 110.41 -178.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -61.44 -43.23 99.23 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 125.35 1.656 . . . . 49.16 109.63 -179.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.6 m -67.98 -42.74 80.38 Favored 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 108.039 -1.097 . . . . 32.93 108.039 -175.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.6 mt -53.35 -45.35 56.5 Favored 'Isoleucine or valine' 0 C--O 1.271 2.189 0 N-CA-C 108.179 -1.045 . . . . 35.44 108.179 178.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 114' ' ' HOH . 25.0 mm100 -71.71 -45.02 63.14 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 124.339 1.024 . . . . 61.51 108.576 -176.402 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -57.0 -42.53 80.46 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-N 118.852 0.751 . . . . 69.06 109.392 178.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.1 mt -81.51 -15.68 54.17 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 117.011 -1.471 . . . . 40.39 110.438 -172.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.22 31.93 58.84 Favored Glycine 0 C--O 1.26 1.767 0 C-N-CA 126.966 2.222 . . . . 38.79 113.436 -178.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.2 m -108.09 169.83 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 106.147 -1.798 . . . . 38.04 106.147 -165.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.1 p -85.52 -13.67 48.31 Favored 'General case' 0 C--O 1.265 1.886 0 O-C-N 125.242 1.589 . . . . 48.46 112.272 -168.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.08 -169.39 41.85 Favored Glycine 0 C--O 1.276 2.746 0 CA-C-O 118.19 -1.339 . . . . 36.12 114.012 -176.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -67.11 -42.6 84.23 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 117.218 -1.372 . . . . 53.88 110.136 -168.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.2 t -58.83 -50.52 73.66 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 125.066 1.479 . . . . 41.64 109.383 -177.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -68.16 -32.49 72.78 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-O 116.842 -1.551 . . . . 46.59 109.158 -179.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.75 -54.44 47.08 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 120.775 1.625 . . . . 31.67 109.661 172.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.1 mt -49.88 -53.72 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 CA-C-O 117.11 -1.424 . . . . 35.43 109.417 175.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.79 -38.99 92.84 Favored 'General case' 0 C--O 1.26 1.649 0 N-CA-C 107.345 -1.354 . . . . 33.4 107.345 -173.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -61.0 -43.28 99.11 Favored 'General case' 0 C--O 1.281 2.732 0 CA-C-N 119.139 0.881 . . . . 47.36 111.429 177.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LEU . . . . . 0.468 HD22 HD11 ' A' ' 12' ' ' LEU . 89.1 mt -75.1 -33.84 61.66 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 124.928 1.392 . . . . 35.04 109.371 -177.096 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.1 mt -62.86 -43.74 98.0 Favored 'General case' 0 N--CA 1.508 2.458 0 CA-C-N 120.56 1.527 . . . . 39.36 109.299 167.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -64.38 -29.79 70.84 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 119.816 1.189 . . . . 39.59 110.614 -178.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.2 mt -87.19 -5.0 59.14 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 116.699 -1.619 . . . . 45.84 111.68 -177.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.24 14.37 81.75 Favored Glycine 0 N--CA 1.474 1.231 0 CA-C-O 117.463 -1.743 . . . . 45.54 113.279 -178.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -82.66 -22.6 34.55 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.253 1.526 . . . . 50.22 113.971 -178.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.6 mt -125.26 159.82 30.73 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 107.452 -1.314 . . . . 35.57 107.452 -178.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.5 p -107.47 154.63 21.08 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 124.482 1.114 . . . . 49.97 108.774 163.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 tp -64.22 -24.39 67.65 Favored 'General case' 0 C--O 1.272 2.288 0 C-N-CA 125.248 1.419 . . . . 50.53 111.629 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 115.079 -2.391 . . . . 57.63 109.88 -174.216 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . 0.484 ' O ' ' HG2' ' A' ' 52' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.011 0 CA-C-O 118.72 -0.657 . . . . 91.42 109.445 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.1 t -98.8 172.29 7.54 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.702 1.601 . . . . 78.7 110.336 -175.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.1 tp -89.74 -20.71 23.24 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 125.952 1.701 . . . . 74.0 108.306 175.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.468 HD11 HD22 ' A' ' 66' ' ' LEU . 3.8 mt -113.3 154.33 27.01 Favored 'General case' 0 C--O 1.256 1.434 0 C-N-CA 125.567 1.547 . . . . 62.95 109.38 177.557 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.3 p -71.92 158.08 36.68 Favored 'General case' 0 C--O 1.27 2.135 0 CA-C-O 116.636 -1.649 . . . . 52.02 106.997 161.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.82 -41.27 20.06 Favored Glycine 0 C--O 1.249 1.041 0 O-C-N 127.227 2.829 . . . . 45.86 111.146 168.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -66.6 -51.31 57.76 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 115.473 -2.204 . . . . 57.28 108.944 -176.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -55.73 -47.09 77.5 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 125.752 1.907 . . . . 55.12 108.348 179.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.0 ttm105 -61.51 -41.75 97.76 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 118.846 0.748 . . . . 54.1 110.005 178.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -66.46 -40.41 89.39 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 118.059 -0.972 . . . . 63.8 109.838 179.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.9 mt -58.31 -49.97 80.09 Favored 'Isoleucine or valine' 0 C--O 1.268 2.049 0 CA-C-N 118.826 0.739 . . . . 34.18 111.123 176.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -68.58 -36.45 78.75 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 116.286 -1.816 . . . . 34.12 109.56 -177.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -59.78 -34.85 73.55 Favored 'General case' 0 N--CA 1.505 2.29 0 CA-C-N 120.277 1.399 . . . . 39.15 109.924 174.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.6 mt -75.09 -36.81 61.68 Favored 'General case' 0 C--O 1.25 1.104 0 CA-C-O 116.147 -1.883 . . . . 49.53 112.663 175.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.7 mt -58.3 -44.31 88.5 Favored 'General case' 0 C--O 1.194 -1.826 0 CA-C-N 120.916 1.689 . . . . 39.48 108.74 171.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -50.69 -38.3 16.79 Favored 'Isoleucine or valine' 0 C--O 1.283 2.823 0 C-N-CA 117.547 -1.661 . . . . 35.1 109.108 177.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -85.84 15.86 4.53 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 117.857 -1.068 . . . . 55.46 111.633 -175.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 t0 68.89 26.18 5.92 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.528 1.531 . . . . 52.87 110.468 170.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -73.27 138.26 45.4 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.479 -0.934 . . . . 68.12 108.479 170.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.0 p -70.82 160.57 32.5 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.186 0.994 . . . . 46.6 109.806 164.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . 0.27 65.4 p -61.99 -30.22 70.79 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 107.681 -1.229 . . . . 45.05 107.681 179.031 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -68.76 -49.94 54.57 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-O 116.674 -1.631 . . . . 72.62 109.912 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -54.11 -45.64 71.93 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-N 119.112 0.869 . . . . 61.8 110.4 171.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 mt -63.44 -41.74 93.77 Favored 'Isoleucine or valine' 0 C--O 1.269 2.125 0 N-CA-C 108.878 -0.786 . . . . 41.81 108.878 -174.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 38' ' ' ILE . 99.3 p -67.09 -43.45 82.54 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 108.309 -0.997 . . . . 52.45 108.309 -173.701 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 83.5 mt -55.95 -60.16 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 124.744 1.278 . . . . 60.11 108.618 172.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -56.78 -42.44 79.44 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 117.139 -1.41 . . . . 65.54 112.045 -176.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 84.1 mt -91.49 -7.55 50.14 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-N 120.079 1.308 . . . . 56.69 111.076 -175.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 64.43 57.86 1.13 Allowed 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 125.832 1.653 . . . . 83.2 108.42 174.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.429 ' O ' ' HB2' ' A' ' 33' ' ' SER . 42.2 pt -142.65 171.16 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 N-CA-C 106.438 -1.69 . . . . 52.49 106.438 177.254 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 p -78.56 154.94 29.96 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 119.586 -0.846 . . . . 41.81 108.78 -177.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -67.02 -31.68 72.4 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 118.534 -0.746 . . . . 56.49 109.391 177.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -59.97 -38.75 83.39 Favored 'General case' 0 C--O 1.281 2.762 0 CA-C-O 117.668 -1.158 . . . . 38.34 110.154 177.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.7 m -71.61 -41.84 68.42 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 125.551 1.782 . . . . 39.03 107.735 -177.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.5 t -56.58 -52.59 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 124.805 1.316 . . . . 34.3 108.749 176.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 64.5 mtt85 -55.46 -46.11 76.82 Favored 'General case' 0 C--O 1.277 2.533 0 CA-C-O 117.914 -1.041 . . . . 83.59 112.541 176.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -67.32 -32.42 73.37 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 118.273 -0.87 . . . . 36.72 109.242 -178.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -67.08 -45.4 77.43 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 118.706 0.685 . . . . 44.92 110.31 177.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 80.5 mt -58.95 -49.14 84.19 Favored 'Isoleucine or valine' 0 C--O 1.267 2.014 0 N-CA-C 106.901 -1.518 . . . . 31.81 106.901 177.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.7 m -59.85 -43.44 94.65 Favored 'General case' 0 C--O 1.274 2.354 0 CA-C-N 118.721 0.691 . . . . 36.61 110.41 -178.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -61.44 -43.23 99.23 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 125.35 1.656 . . . . 49.16 109.63 -179.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.6 m -67.98 -42.74 80.38 Favored 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 108.039 -1.097 . . . . 32.93 108.039 -175.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.6 mt -53.35 -45.35 56.5 Favored 'Isoleucine or valine' 0 C--O 1.271 2.189 0 N-CA-C 108.179 -1.045 . . . . 35.44 108.179 178.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 114' ' ' HOH . 25.0 mm100 -71.71 -45.02 63.14 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 124.339 1.024 . . . . 61.51 108.576 -176.402 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -57.0 -42.53 80.46 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-N 118.852 0.751 . . . . 69.06 109.392 178.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.1 mt -81.51 -15.68 54.17 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 117.011 -1.471 . . . . 40.39 110.438 -172.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.22 31.93 58.84 Favored Glycine 0 C--O 1.26 1.767 0 C-N-CA 126.966 2.222 . . . . 38.79 113.436 -178.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.2 m -108.09 169.83 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 106.147 -1.798 . . . . 38.04 106.147 -165.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.1 p -85.52 -13.67 48.31 Favored 'General case' 0 C--O 1.265 1.886 0 O-C-N 125.242 1.589 . . . . 48.46 112.272 -168.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.08 -169.39 41.85 Favored Glycine 0 C--O 1.276 2.746 0 CA-C-O 118.19 -1.339 . . . . 36.12 114.012 -176.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -67.11 -42.6 84.23 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 117.218 -1.372 . . . . 53.88 110.136 -168.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.2 t -58.83 -50.52 73.66 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 125.066 1.479 . . . . 41.64 109.383 -177.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -68.16 -32.49 72.78 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-O 116.842 -1.551 . . . . 46.59 109.158 -179.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.75 -54.44 47.08 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 120.775 1.625 . . . . 31.67 109.661 172.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.1 mt -49.88 -53.72 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 CA-C-O 117.11 -1.424 . . . . 35.43 109.417 175.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.79 -38.99 92.84 Favored 'General case' 0 C--O 1.26 1.649 0 N-CA-C 107.345 -1.354 . . . . 33.4 107.345 -173.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -61.0 -43.28 99.11 Favored 'General case' 0 C--O 1.281 2.732 0 CA-C-N 119.139 0.881 . . . . 47.36 111.429 177.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.468 HD22 HD11 ' A' ' 12' ' ' LEU . 89.1 mt -75.1 -33.84 61.66 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 124.928 1.392 . . . . 35.04 109.371 -177.096 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.1 mt -62.86 -43.74 98.0 Favored 'General case' 0 N--CA 1.508 2.458 0 CA-C-N 120.56 1.527 . . . . 39.36 109.299 167.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -64.38 -29.79 70.84 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 119.816 1.189 . . . . 39.59 110.614 -178.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.2 mt -87.19 -5.0 59.14 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 116.699 -1.619 . . . . 45.84 111.68 -177.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 79.24 14.37 81.75 Favored Glycine 0 N--CA 1.474 1.231 0 CA-C-O 117.463 -1.743 . . . . 45.54 113.279 -178.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -82.66 -22.6 34.55 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.253 1.526 . . . . 50.22 113.971 -178.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.6 mt -125.26 159.82 30.73 Favored 'General case' 0 C--O 1.214 -0.792 0 N-CA-C 107.452 -1.314 . . . . 35.57 107.452 -178.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.5 p -107.47 154.63 21.08 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 124.482 1.114 . . . . 49.97 108.774 163.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 tp -64.22 -24.39 67.65 Favored 'General case' 0 C--O 1.272 2.288 0 C-N-CA 125.248 1.419 . . . . 50.53 111.629 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 115.079 -2.391 . . . . 57.63 109.88 -174.216 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . 0.484 ' O ' ' HG2' ' A' ' 52' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_