data_2oo2_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 2oo2 _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 ' 0' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 114.466 1.284 . . . . 55.450000000000003 114.466 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 9.5 tp -65.95 -35.42 80.55 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 119.642 -0.823 . . . . 50.869999999999997 109.659 160.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -66.35 -46.41 76.89 Favored 'General case' 0 CA--C 1.505 -0.779 0 O-C-N 121.719 -0.613 . . . . 62.979999999999997 109.701 176.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -54.13 -48.28 70.96 Favored 'General case' 0 C--O 1.207 -1.146 0 O-C-N 124.433 1.083 . . . . 56.68 113.864 171.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -64.17 -47.49 79.63 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 118.825 -0.607 . . . . 52.549999999999997 109.414 -178.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.1 mt -63.43 -42.31 98.69 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 115.462 1.652 . . . . 39.329999999999998 115.462 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -59.65 -48.25 82.41 Favored 'General case' 0 CA--C 1.501 -0.913 0 O-C-N 121.139 -0.976 . . . . 62.789999999999999 112.317 173.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.6 mtt85 -61.83 -46.84 87.75 Favored 'General case' 0 CA--C 1.555 1.173 0 N-CA-C 108.893 -0.78 . . . . 68.140000000000001 108.893 -176.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -69.3 -40.24 77.81 Favored 'General case' 0 N--CA 1.51 2.541 0 O-C-N 124.187 0.929 . . . . 47.18 111.513 -174.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 57.1 m -63.24 -51.36 66.53 Favored 'General case' 0 C--O 1.279 2.617 0 CA-C-O 122.178 0.99 . . . . 31.98 111.185 178.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.3 mt -57.87 -37.71 74.43 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.918 1.081 . . . . 38.390000000000001 113.918 176.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -68.63 -48.28 64.47 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 103.732 -2.692 . . . . 34.219999999999999 103.732 -170.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 37.1 m95 -77.86 -27.92 49.92 Favored 'General case' 1 C--O 1.306 4.042 0 CA-C-N 114.19 -1.368 . . . . 33.210000000000001 110.928 -172.465 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 tp -72.95 -45.3 58.79 Favored 'General case' 0 N--CA 1.426 -1.654 0 CA-C-N 115.399 -0.819 . . . . 33.189999999999998 111.798 175.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -63.04 -33.21 74.94 Favored 'General case' 0 CA--C 1.566 1.563 0 C-N-CA 118.815 -1.154 . . . . 53.770000000000003 111.042 175.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -69.11 -44.52 72.27 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.69 -1.226 . . . . 33.719999999999999 107.69 -178.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.1 tt -75.01 -31.46 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 CA-C-O 122.523 1.154 . . . . 34.579999999999998 112.07 -171.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -59.22 -34.34 72.06 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 115.498 -0.774 . . . . 44.170000000000002 109.043 176.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -78.64 -42.35 29.0 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.711 -0.618 . . . . 55.840000000000003 111.983 170.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.7 tpt85 -64.88 -38.83 92.28 Favored 'General case' 0 C--O 1.259 1.562 0 N-CA-C 110.44 -0.207 . . . . 40.840000000000003 110.44 -169.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 p -60.59 -28.08 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 CA-C-O 122.662 1.22 . . . . 42.479999999999997 109.942 -174.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -73.89 -16.76 61.1 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 113.907 -1.497 . . . . 53.030000000000001 113.603 -179.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -97.16 -4.94 38.28 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 114.017 1.117 . . . . 53.619999999999997 114.017 -176.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.8 pt -124.66 154.91 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-O 121.515 0.674 . . . . 49.600000000000001 110.965 -171.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -141.01 162.97 34.24 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 118.666 -1.214 . . . . 60.869999999999997 111.055 176.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.85 -139.57 6.8 Favored Glycine 0 C--O 1.246 0.846 0 N-CA-C 116.278 1.271 . . . . 47.75 116.278 172.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -52.39 123.07 9.99 Favored 'General case' 0 C--O 1.252 1.223 0 C-N-CA 123.776 0.831 . . . . 56.100000000000001 112.356 -179.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.55 -30.06 70.28 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 115.395 1.628 . . . . 64.299999999999997 115.395 -172.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.93 -48.76 58.95 Favored Glycine 0 C--O 1.258 1.65 0 N-CA-C 112.343 -0.303 . . . . 46.439999999999998 112.343 174.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -53.27 -51.23 62.93 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 123.86 0.864 . . . . 45.399999999999999 110.16 171.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 92.3 mmm -62.8 -37.23 85.89 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 123.76 0.662 . . . . 43.810000000000002 111.993 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.4 mmt-85 -69.67 -40.85 76.17 Favored 'General case' 0 C--O 1.262 1.749 0 C-N-CA 119.235 -0.986 . . . . 61.140000000000001 111.425 -179.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -55.82 -48.7 74.97 Favored 'General case' 1 C--O 1.326 5.126 0 O-C-N 124.035 0.835 . . . . 40.079999999999998 113.026 173.636 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . 0.304 61.0 mt -49.49 -59.14 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.284 2.911 0 CA-C-N 114.616 -1.175 . . . . 34.57 113.918 174.895 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -61.76 -34.02 75.11 Favored 'General case' 0 C--O 1.28 2.695 0 CA-C-O 117.428 -1.273 . . . . 55.909999999999997 111.833 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.35 -49.33 67.3 Favored 'General case' 1 C--O 1.317 4.627 0 N-CA-C 104.918 -2.253 . . . . 32.259999999999998 104.918 -176.492 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 40' ' ' SER . 59.3 m-85 -75.57 -33.99 60.65 Favored 'General case' 2 C--O 1.375 7.666 0 C-N-CA 115.731 -2.387 . . . . 33.799999999999997 112.103 179.793 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.7 mt -51.14 -53.31 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.751 0 O-C-N 119.931 -1.731 . . . . 29.030000000000001 112.799 168.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.8 t -52.85 -51.13 62.17 Favored 'General case' 0 C--O 1.296 3.518 0 O-C-N 124.079 0.862 . . . . 34.0 111.508 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.41 -49.7 75.8 Favored 'General case' 1 C--O 1.323 4.935 0 CA-C-N 115.393 -0.821 . . . . 34.240000000000002 110.041 -179.625 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' TYR . 31.5 t -53.32 -48.09 68.74 Favored 'General case' 1 C--O 1.337 5.68 0 C-N-CA 116.591 -2.044 . . . . 30.399999999999999 112.941 177.357 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.9 mtm-85 -51.87 -48.7 63.95 Favored 'General case' 0 N--CA 1.52 3.051 0 C-N-CA 124.175 0.99 . . . . 58.020000000000003 110.223 177.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -64.43 -52.64 57.06 Favored 'General case' 0 C--O 1.268 2.072 0 O-C-N 124.316 1.01 . . . . 32.530000000000001 112.519 -176.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -61.78 -36.75 82.0 Favored 'General case' 0 C--O 1.279 2.638 0 N-CA-C 115.127 1.528 . . . . 38.219999999999999 115.127 173.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.6 tp -59.97 -47.38 86.06 Favored 'General case' 0 C--O 1.221 -0.404 0 N-CA-C 108.65 -0.87 . . . . 37.780000000000001 108.65 178.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.95 -41.82 97.06 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 114.873 1.434 . . . . 63.390000000000001 114.873 -177.084 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -85.81 3.52 41.15 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.063 0.764 . . . . 42.009999999999998 113.063 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.78 23.09 58.57 Favored Glycine 0 N--CA 1.478 1.445 0 N-CA-C 115.814 1.086 . . . . 38.229999999999997 115.814 176.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -94.86 83.71 4.05 Favored 'General case' 0 C--O 1.278 2.588 0 C-N-CA 115.916 -2.314 . . . . 42.5 105.911 173.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.6 mt -64.05 -40.5 96.42 Favored 'General case' 0 C--O 1.297 3.601 0 N-CA-C 115.22 1.563 . . . . 34.719999999999999 115.22 -170.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.79 -48.01 86.21 Favored 'Isoleucine or valine' 0 C--O 1.282 2.809 0 N-CA-C 107.205 -1.406 . . . . 30.899999999999999 107.205 -178.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -69.99 -34.63 73.58 Favored 'General case' 0 N--CA 1.533 3.685 0 C-N-CA 117.377 -1.729 . . . . 60.43 107.372 -178.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.85 79.97 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 118.421 -1.312 . . . . 30.0 110.993 178.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -64.48 -43.97 92.5 Favored 'General case' 0 C--O 1.295 3.448 0 CA-C-O 121.243 0.544 . . . . 28.649999999999999 111.706 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -54.17 -46.14 72.27 Favored 'General case' 0 C--O 1.3 3.747 0 N-CA-C 107.742 -1.207 . . . . 37.890000000000001 107.742 -179.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 73.9 m -68.36 -37.34 80.36 Favored 'General case' 2 C--O 1.357 6.721 0 C-N-CA 118.923 -1.111 . . . . 27.75 112.169 -177.531 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . 0.308 0.9 OUTLIER -61.3 -37.48 77.69 Favored 'Isoleucine or valine' 0 C--O 1.299 3.669 0 CA-C-N 121.511 1.96 . . . . 30.550000000000001 111.731 177.876 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.1 t -71.72 -49.28 46.8 Favored 'Isoleucine or valine' 0 C--O 1.261 1.701 0 N-CA-C 104.046 -2.576 . . . . 27.140000000000001 104.046 -177.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -55.8 -46.23 78.05 Favored 'General case' 1 C--O 1.309 4.203 0 C-N-CA 117.727 -1.589 . . . . 34.159999999999997 109.655 176.987 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.25 -47.72 71.96 Favored 'General case' 0 C--O 1.304 3.922 0 C-N-CA 118.464 -1.294 . . . . 30.100000000000001 112.565 178.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -61.86 -36.52 81.46 Favored 'General case' 0 C--O 1.263 1.764 0 N-CA-C 115.555 1.687 . . . . 31.899999999999999 115.555 175.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.66 -43.0 77.15 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 108.516 -0.92 . . . . 32.960000000000001 108.516 -177.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -62.13 -41.43 98.24 Favored 'General case' 0 C--O 1.28 2.68 0 N-CA-C 107.719 -1.215 . . . . 40.280000000000001 107.719 -179.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.12 -57.3 9.99 Favored 'General case' 0 C--O 1.282 2.779 0 O-C-N 124.476 1.11 . . . . 33.649999999999999 112.86 176.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -61.14 -45.11 95.98 Favored 'General case' 0 C--O 1.197 -1.682 0 N-CA-C 114.063 1.135 . . . . 45.100000000000001 114.063 179.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.9 mt -72.14 -36.32 56.08 Favored 'Isoleucine or valine' 0 C--O 1.246 0.919 0 O-C-N 123.757 0.661 . . . . 42.219999999999999 110.921 -178.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -55.16 -49.33 63.74 Favored Glycine 0 C--O 1.248 0.971 0 N-CA-C 111.047 -0.821 . . . . 40.340000000000003 111.047 170.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 47.1 mt -59.43 -46.69 88.03 Favored 'General case' 0 C--O 1.26 1.622 0 N-CA-C 112.28 0.474 . . . . 43.119999999999997 112.28 174.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -59.03 -43.36 91.61 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.986 0.735 . . . . 62.960000000000001 112.986 -179.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -90.89 4.37 6.34 Favored 'Isoleucine or valine' 0 C--O 1.257 1.494 0 CA-C-O 121.285 0.564 . . . . 47.07 111.79 -173.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 61.0 36.65 92.6 Favored Glycine 0 C--N 1.331 0.303 0 N-CA-C 115.947 1.139 . . . . 46.399999999999999 115.947 -175.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -86.14 -17.1 35.87 Favored 'General case' 0 C--O 1.249 1.033 0 CA-C-N 117.434 0.617 . . . . 56.390000000000001 111.853 165.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.1 mt -131.87 152.71 50.85 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 125.063 1.345 . . . . 43.310000000000002 107.761 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -141.81 147.24 36.93 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 124.581 1.176 . . . . 58.270000000000003 108.822 -176.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.62 136.48 43.91 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.818 -0.808 . . . . 60.479999999999997 108.818 172.917 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.4 m . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 116.717 2.117 . . . . 57.939999999999998 116.717 -172.79 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 114.466 1.284 . . . . 55.45 114.466 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 9.5 tp -65.95 -35.42 80.55 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 119.642 -0.823 . . . . 50.87 109.659 160.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -66.35 -46.41 76.89 Favored 'General case' 0 CA--C 1.505 -0.779 0 O-C-N 121.719 -0.613 . . . . 62.98 109.701 176.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -54.13 -48.28 70.96 Favored 'General case' 0 C--O 1.207 -1.146 0 O-C-N 124.433 1.083 . . . . 56.68 113.864 171.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -64.17 -47.49 79.63 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 118.825 -0.607 . . . . 52.55 109.414 -178.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.1 mt -63.43 -42.31 98.69 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 115.462 1.652 . . . . 39.33 115.462 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -59.65 -48.25 82.41 Favored 'General case' 0 CA--C 1.501 -0.913 0 O-C-N 121.139 -0.976 . . . . 62.79 112.317 173.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.6 mtt85 -61.83 -46.84 87.75 Favored 'General case' 0 CA--C 1.555 1.173 0 N-CA-C 108.893 -0.78 . . . . 68.14 108.893 -176.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -69.3 -40.24 77.81 Favored 'General case' 0 N--CA 1.51 2.541 0 O-C-N 124.187 0.929 . . . . 47.18 111.513 -174.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 57.1 m -63.24 -51.36 66.53 Favored 'General case' 0 C--O 1.279 2.617 0 CA-C-O 122.178 0.99 . . . . 31.98 111.185 178.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . 0.481 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 16.3 mt -57.87 -37.71 74.43 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.918 1.081 . . . . 38.39 113.918 176.5 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -68.63 -48.28 64.47 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 103.732 -2.692 . . . . 34.22 103.732 -170.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 37.1 m95 -77.86 -27.92 49.92 Favored 'General case' 1 C--O 1.306 4.042 0 CA-C-N 114.19 -1.368 . . . . 33.21 110.928 -172.465 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 tp -72.95 -45.3 58.79 Favored 'General case' 0 N--CA 1.426 -1.654 0 CA-C-N 115.399 -0.819 . . . . 33.19 111.798 175.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 93.2 mt-10 -63.04 -33.21 74.94 Favored 'General case' 0 CA--C 1.566 1.563 0 C-N-CA 118.815 -1.154 . . . . 53.77 111.042 175.325 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -69.11 -44.52 72.27 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.69 -1.226 . . . . 33.72 107.69 -178.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.1 tt -75.01 -31.46 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 CA-C-O 122.523 1.154 . . . . 34.58 112.07 -171.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . 0.721 ' OE2' ' HD3' ' A' ' 41' ' ' ARG . 84.5 mt-10 -59.22 -34.34 72.06 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 115.498 -0.774 . . . . 44.17 109.043 176.366 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -78.64 -42.35 29.0 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.711 -0.618 . . . . 55.84 111.983 170.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.7 tpt85 -64.88 -38.83 92.28 Favored 'General case' 0 C--O 1.259 1.562 0 N-CA-C 110.44 -0.207 . . . . 40.84 110.44 -169.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 p -60.59 -28.08 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 CA-C-O 122.662 1.22 . . . . 42.48 109.942 -174.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -73.89 -16.76 61.1 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 113.907 -1.497 . . . . 53.03 113.603 -179.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -97.16 -4.94 38.28 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 114.017 1.117 . . . . 53.62 114.017 -176.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.8 pt -124.66 154.91 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-O 121.515 0.674 . . . . 49.6 110.965 -171.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -141.01 162.97 34.24 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 118.666 -1.214 . . . . 60.87 111.055 176.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.85 -139.57 6.8 Favored Glycine 0 C--O 1.246 0.846 0 N-CA-C 116.278 1.271 . . . . 47.75 116.278 172.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -52.39 123.07 9.99 Favored 'General case' 0 C--O 1.252 1.223 0 C-N-CA 123.776 0.831 . . . . 56.1 112.356 -179.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . 0.753 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 5.6 mm-40 -66.55 -30.06 70.28 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 115.395 1.628 . . . . 64.3 115.395 -172.405 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.93 -48.76 58.95 Favored Glycine 0 C--O 1.258 1.65 0 N-CA-C 112.343 -0.303 . . . . 46.44 112.343 174.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -53.27 -51.23 62.93 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 123.86 0.864 . . . . 45.4 110.16 171.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 92.3 mmm -62.8 -37.23 85.89 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 123.76 0.662 . . . . 43.81 111.993 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ARG . . . . . 0.753 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 62.4 mmt-85 -69.67 -40.85 76.17 Favored 'General case' 0 C--O 1.262 1.749 0 C-N-CA 119.235 -0.986 . . . . 61.14 111.425 -179.995 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -55.82 -48.7 74.97 Favored 'General case' 1 C--O 1.326 5.126 0 O-C-N 124.035 0.835 . . . . 40.08 113.026 173.636 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . 0.304 61.0 mt -49.49 -59.14 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.284 2.911 0 CA-C-N 114.616 -1.175 . . . . 34.57 113.918 174.895 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -61.76 -34.02 75.11 Favored 'General case' 0 C--O 1.28 2.695 0 CA-C-O 117.428 -1.273 . . . . 55.91 111.833 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.35 -49.33 67.3 Favored 'General case' 1 C--O 1.317 4.627 0 N-CA-C 104.918 -2.253 . . . . 32.26 104.918 -176.492 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -75.57 -33.99 60.65 Favored 'General case' 2 C--O 1.375 7.666 0 C-N-CA 115.731 -2.387 . . . . 33.8 112.103 179.793 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.7 mt -51.14 -53.31 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.751 0 O-C-N 119.931 -1.731 . . . . 29.03 112.799 168.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.8 t -52.85 -51.13 62.17 Favored 'General case' 0 C--O 1.296 3.518 0 O-C-N 124.079 0.862 . . . . 34.0 111.508 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.41 -49.7 75.8 Favored 'General case' 1 C--O 1.323 4.935 0 CA-C-N 115.393 -0.821 . . . . 34.24 110.041 -179.625 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.5 t -53.32 -48.09 68.74 Favored 'General case' 1 C--O 1.337 5.68 0 C-N-CA 116.591 -2.044 . . . . 30.4 112.941 177.357 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ARG . . . . . 0.721 ' HD3' ' OE2' ' A' ' 17' ' ' GLU . 35.9 mtm-85 -51.87 -48.7 63.95 Favored 'General case' 0 N--CA 1.52 3.051 0 C-N-CA 124.175 0.99 . . . . 58.02 110.223 177.229 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -64.43 -52.64 57.06 Favored 'General case' 0 C--O 1.268 2.072 0 O-C-N 124.316 1.01 . . . . 32.53 112.519 -176.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -61.78 -36.75 82.0 Favored 'General case' 0 C--O 1.279 2.638 0 N-CA-C 115.127 1.528 . . . . 38.22 115.127 173.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.6 tp -59.97 -47.38 86.06 Favored 'General case' 0 C--O 1.221 -0.404 0 N-CA-C 108.65 -0.87 . . . . 37.78 108.65 178.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.95 -41.82 97.06 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 114.873 1.434 . . . . 63.39 114.873 -177.084 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -85.81 3.52 41.15 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.063 0.764 . . . . 42.01 113.063 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.78 23.09 58.57 Favored Glycine 0 N--CA 1.478 1.445 0 N-CA-C 115.814 1.086 . . . . 38.23 115.814 176.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -94.86 83.71 4.05 Favored 'General case' 0 C--O 1.278 2.588 0 C-N-CA 115.916 -2.314 . . . . 42.5 105.911 173.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.6 mt -64.05 -40.5 96.42 Favored 'General case' 0 C--O 1.297 3.601 0 N-CA-C 115.22 1.563 . . . . 34.72 115.22 -170.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.79 -48.01 86.21 Favored 'Isoleucine or valine' 0 C--O 1.282 2.809 0 N-CA-C 107.205 -1.406 . . . . 30.9 107.205 -178.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -69.99 -34.63 73.58 Favored 'General case' 0 N--CA 1.533 3.685 0 C-N-CA 117.377 -1.729 . . . . 60.43 107.372 -178.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.85 79.97 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 118.421 -1.312 . . . . 30.0 110.993 178.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -64.48 -43.97 92.5 Favored 'General case' 0 C--O 1.295 3.448 0 CA-C-O 121.243 0.544 . . . . 28.65 111.706 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -54.17 -46.14 72.27 Favored 'General case' 0 C--O 1.3 3.747 0 N-CA-C 107.742 -1.207 . . . . 37.89 107.742 -179.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 73.9 m -68.36 -37.34 80.36 Favored 'General case' 2 C--O 1.357 6.721 0 C-N-CA 118.923 -1.111 . . . . 27.75 112.169 -177.531 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . 0.308 0.9 OUTLIER -61.3 -37.48 77.69 Favored 'Isoleucine or valine' 0 C--O 1.299 3.669 0 CA-C-N 121.511 1.96 . . . . 30.55 111.731 177.876 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.1 t -71.72 -49.28 46.8 Favored 'Isoleucine or valine' 0 C--O 1.261 1.701 0 N-CA-C 104.046 -2.576 . . . . 27.14 104.046 -177.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -55.8 -46.23 78.05 Favored 'General case' 1 C--O 1.309 4.203 0 C-N-CA 117.727 -1.589 . . . . 34.16 109.655 176.987 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.25 -47.72 71.96 Favored 'General case' 0 C--O 1.304 3.922 0 C-N-CA 118.464 -1.294 . . . . 30.1 112.565 178.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -61.86 -36.52 81.46 Favored 'General case' 0 C--O 1.263 1.764 0 N-CA-C 115.555 1.687 . . . . 31.9 115.555 175.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.66 -43.0 77.15 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 108.516 -0.92 . . . . 32.96 108.516 -177.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -62.13 -41.43 98.24 Favored 'General case' 0 C--O 1.28 2.68 0 N-CA-C 107.719 -1.215 . . . . 40.28 107.719 -179.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . 0.426 ' C ' HD23 ' A' ' 63' ' ' LEU . 6.4 tt -64.12 -57.3 9.99 Favored 'General case' 0 C--O 1.282 2.779 0 O-C-N 124.476 1.11 . . . . 33.65 112.86 176.763 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -61.14 -45.11 95.98 Favored 'General case' 0 C--O 1.197 -1.682 0 N-CA-C 114.063 1.135 . . . . 45.1 114.063 179.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.9 mt -72.14 -36.32 56.08 Favored 'Isoleucine or valine' 0 C--O 1.246 0.919 0 O-C-N 123.757 0.661 . . . . 42.22 110.921 -178.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -55.16 -49.33 63.74 Favored Glycine 0 C--O 1.248 0.971 0 N-CA-C 111.047 -0.821 . . . . 40.34 111.047 170.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 47.1 mt -59.43 -46.69 88.03 Favored 'General case' 0 C--O 1.26 1.622 0 N-CA-C 112.28 0.474 . . . . 43.12 112.28 174.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -59.03 -43.36 91.61 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.986 0.735 . . . . 62.96 112.986 -179.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -90.89 4.37 6.34 Favored 'Isoleucine or valine' 0 C--O 1.257 1.494 0 CA-C-O 121.285 0.564 . . . . 47.07 111.79 -173.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 61.0 36.65 92.6 Favored Glycine 0 C--N 1.331 0.303 0 N-CA-C 115.947 1.139 . . . . 46.4 115.947 -175.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -86.14 -17.1 35.87 Favored 'General case' 0 C--O 1.249 1.033 0 CA-C-N 117.434 0.617 . . . . 56.39 111.853 165.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.1 mt -131.87 152.71 50.85 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 125.063 1.345 . . . . 43.31 107.761 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -141.81 147.24 36.93 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 124.581 1.176 . . . . 58.27 108.822 -176.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.62 136.48 43.91 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.818 -0.808 . . . . 60.48 108.818 172.917 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.4 m . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 116.717 2.117 . . . . 57.94 116.717 -172.79 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 114.466 1.284 . . . . 55.45 114.466 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 9.5 tp -65.95 -35.42 80.55 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 119.642 -0.823 . . . . 50.87 109.659 160.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -66.35 -46.41 76.89 Favored 'General case' 0 CA--C 1.505 -0.779 0 O-C-N 121.719 -0.613 . . . . 62.98 109.701 176.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -54.13 -48.28 70.96 Favored 'General case' 0 C--O 1.207 -1.146 0 O-C-N 124.433 1.083 . . . . 56.68 113.864 171.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -64.17 -47.49 79.63 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 118.825 -0.607 . . . . 52.55 109.414 -178.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 34.1 mt -63.43 -42.31 98.69 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 115.462 1.652 . . . . 39.33 115.462 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -59.65 -48.25 82.41 Favored 'General case' 0 CA--C 1.501 -0.913 0 O-C-N 121.139 -0.976 . . . . 62.79 112.317 173.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.6 mtt85 -61.83 -46.84 87.75 Favored 'General case' 0 CA--C 1.555 1.173 0 N-CA-C 108.893 -0.78 . . . . 68.14 108.893 -176.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -69.3 -40.24 77.81 Favored 'General case' 0 N--CA 1.51 2.541 0 O-C-N 124.187 0.929 . . . . 47.18 111.513 -174.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 57.1 m -63.24 -51.36 66.53 Favored 'General case' 0 C--O 1.279 2.617 0 CA-C-O 122.178 0.99 . . . . 31.98 111.185 178.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.481 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 16.3 mt -57.87 -37.71 74.43 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.918 1.081 . . . . 38.39 113.918 176.5 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -68.63 -48.28 64.47 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 103.732 -2.692 . . . . 34.22 103.732 -170.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 37.1 m95 -77.86 -27.92 49.92 Favored 'General case' 1 C--O 1.306 4.042 0 CA-C-N 114.19 -1.368 . . . . 33.21 110.928 -172.465 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 tp -72.95 -45.3 58.79 Favored 'General case' 0 N--CA 1.426 -1.654 0 CA-C-N 115.399 -0.819 . . . . 33.19 111.798 175.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 93.2 mt-10 -63.04 -33.21 74.94 Favored 'General case' 0 CA--C 1.566 1.563 0 C-N-CA 118.815 -1.154 . . . . 53.77 111.042 175.325 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -69.11 -44.52 72.27 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.69 -1.226 . . . . 33.72 107.69 -178.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.1 tt -75.01 -31.46 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 CA-C-O 122.523 1.154 . . . . 34.58 112.07 -171.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.721 ' OE2' ' HD3' ' A' ' 41' ' ' ARG . 84.5 mt-10 -59.22 -34.34 72.06 Favored 'General case' 0 N--CA 1.484 1.26 0 CA-C-N 115.498 -0.774 . . . . 44.17 109.043 176.366 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -78.64 -42.35 29.0 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.711 -0.618 . . . . 55.84 111.983 170.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.7 tpt85 -64.88 -38.83 92.28 Favored 'General case' 0 C--O 1.259 1.562 0 N-CA-C 110.44 -0.207 . . . . 40.84 110.44 -169.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 p -60.59 -28.08 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 CA-C-O 122.662 1.22 . . . . 42.48 109.942 -174.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -73.89 -16.76 61.1 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 113.907 -1.497 . . . . 53.03 113.603 -179.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -97.16 -4.94 38.28 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 114.017 1.117 . . . . 53.62 114.017 -176.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.8 pt -124.66 154.91 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-O 121.515 0.674 . . . . 49.6 110.965 -171.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -141.01 162.97 34.24 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 118.666 -1.214 . . . . 60.87 111.055 176.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 154.85 -139.57 6.8 Favored Glycine 0 C--O 1.246 0.846 0 N-CA-C 116.278 1.271 . . . . 47.75 116.278 172.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -52.39 123.07 9.99 Favored 'General case' 0 C--O 1.252 1.223 0 C-N-CA 123.776 0.831 . . . . 56.1 112.356 -179.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.753 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 5.6 mm-40 -66.55 -30.06 70.28 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 115.395 1.628 . . . . 64.3 115.395 -172.405 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.93 -48.76 58.95 Favored Glycine 0 C--O 1.258 1.65 0 N-CA-C 112.343 -0.303 . . . . 46.44 112.343 174.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -53.27 -51.23 62.93 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 123.86 0.864 . . . . 45.4 110.16 171.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 92.3 mmm -62.8 -37.23 85.89 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 123.76 0.662 . . . . 43.81 111.993 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.753 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 62.4 mmt-85 -69.67 -40.85 76.17 Favored 'General case' 0 C--O 1.262 1.749 0 C-N-CA 119.235 -0.986 . . . . 61.14 111.425 -179.995 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -55.82 -48.7 74.97 Favored 'General case' 1 C--O 1.326 5.126 0 O-C-N 124.035 0.835 . . . . 40.08 113.026 173.636 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . 0.304 61.0 mt -49.49 -59.14 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.284 2.911 0 CA-C-N 114.616 -1.175 . . . . 34.57 113.918 174.895 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -61.76 -34.02 75.11 Favored 'General case' 0 C--O 1.28 2.695 0 CA-C-O 117.428 -1.273 . . . . 55.91 111.833 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.35 -49.33 67.3 Favored 'General case' 1 C--O 1.317 4.627 0 N-CA-C 104.918 -2.253 . . . . 32.26 104.918 -176.492 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -75.57 -33.99 60.65 Favored 'General case' 2 C--O 1.375 7.666 0 C-N-CA 115.731 -2.387 . . . . 33.8 112.103 179.793 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.7 mt -51.14 -53.31 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.751 0 O-C-N 119.931 -1.731 . . . . 29.03 112.799 168.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.8 t -52.85 -51.13 62.17 Favored 'General case' 0 C--O 1.296 3.518 0 O-C-N 124.079 0.862 . . . . 34.0 111.508 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.41 -49.7 75.8 Favored 'General case' 1 C--O 1.323 4.935 0 CA-C-N 115.393 -0.821 . . . . 34.24 110.041 -179.625 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.5 t -53.32 -48.09 68.74 Favored 'General case' 1 C--O 1.337 5.68 0 C-N-CA 116.591 -2.044 . . . . 30.4 112.941 177.357 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.721 ' HD3' ' OE2' ' A' ' 17' ' ' GLU . 35.9 mtm-85 -51.87 -48.7 63.95 Favored 'General case' 0 N--CA 1.52 3.051 0 C-N-CA 124.175 0.99 . . . . 58.02 110.223 177.229 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -64.43 -52.64 57.06 Favored 'General case' 0 C--O 1.268 2.072 0 O-C-N 124.316 1.01 . . . . 32.53 112.519 -176.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -61.78 -36.75 82.0 Favored 'General case' 0 C--O 1.279 2.638 0 N-CA-C 115.127 1.528 . . . . 38.22 115.127 173.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.6 tp -59.97 -47.38 86.06 Favored 'General case' 0 C--O 1.221 -0.404 0 N-CA-C 108.65 -0.87 . . . . 37.78 108.65 178.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.95 -41.82 97.06 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 114.873 1.434 . . . . 63.39 114.873 -177.084 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -85.81 3.52 41.15 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.063 0.764 . . . . 42.01 113.063 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.78 23.09 58.57 Favored Glycine 0 N--CA 1.478 1.445 0 N-CA-C 115.814 1.086 . . . . 38.23 115.814 176.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -94.86 83.71 4.05 Favored 'General case' 0 C--O 1.278 2.588 0 C-N-CA 115.916 -2.314 . . . . 42.5 105.911 173.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.6 mt -64.05 -40.5 96.42 Favored 'General case' 0 C--O 1.297 3.601 0 N-CA-C 115.22 1.563 . . . . 34.72 115.22 -170.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.79 -48.01 86.21 Favored 'Isoleucine or valine' 0 C--O 1.282 2.809 0 N-CA-C 107.205 -1.406 . . . . 30.9 107.205 -178.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -69.99 -34.63 73.58 Favored 'General case' 0 N--CA 1.533 3.685 0 C-N-CA 117.377 -1.729 . . . . 60.43 107.372 -178.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.85 79.97 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 118.421 -1.312 . . . . 30.0 110.993 178.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -64.48 -43.97 92.5 Favored 'General case' 0 C--O 1.295 3.448 0 CA-C-O 121.243 0.544 . . . . 28.65 111.706 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -54.17 -46.14 72.27 Favored 'General case' 0 C--O 1.3 3.747 0 N-CA-C 107.742 -1.207 . . . . 37.89 107.742 -179.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 73.9 m -68.36 -37.34 80.36 Favored 'General case' 2 C--O 1.357 6.721 0 C-N-CA 118.923 -1.111 . . . . 27.75 112.169 -177.531 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . 0.308 0.9 OUTLIER -61.3 -37.48 77.69 Favored 'Isoleucine or valine' 0 C--O 1.299 3.669 0 CA-C-N 121.511 1.96 . . . . 30.55 111.731 177.876 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.1 t -71.72 -49.28 46.8 Favored 'Isoleucine or valine' 0 C--O 1.261 1.701 0 N-CA-C 104.046 -2.576 . . . . 27.14 104.046 -177.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -55.8 -46.23 78.05 Favored 'General case' 1 C--O 1.309 4.203 0 C-N-CA 117.727 -1.589 . . . . 34.16 109.655 176.987 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.25 -47.72 71.96 Favored 'General case' 0 C--O 1.304 3.922 0 C-N-CA 118.464 -1.294 . . . . 30.1 112.565 178.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -61.86 -36.52 81.46 Favored 'General case' 0 C--O 1.263 1.764 0 N-CA-C 115.555 1.687 . . . . 31.9 115.555 175.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.66 -43.0 77.15 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 108.516 -0.92 . . . . 32.96 108.516 -177.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -62.13 -41.43 98.24 Favored 'General case' 0 C--O 1.28 2.68 0 N-CA-C 107.719 -1.215 . . . . 40.28 107.719 -179.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.426 ' C ' HD23 ' A' ' 63' ' ' LEU . 6.4 tt -64.12 -57.3 9.99 Favored 'General case' 0 C--O 1.282 2.779 0 O-C-N 124.476 1.11 . . . . 33.65 112.86 176.763 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -61.14 -45.11 95.98 Favored 'General case' 0 C--O 1.197 -1.682 0 N-CA-C 114.063 1.135 . . . . 45.1 114.063 179.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.9 mt -72.14 -36.32 56.08 Favored 'Isoleucine or valine' 0 C--O 1.246 0.919 0 O-C-N 123.757 0.661 . . . . 42.22 110.921 -178.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -55.16 -49.33 63.74 Favored Glycine 0 C--O 1.248 0.971 0 N-CA-C 111.047 -0.821 . . . . 40.34 111.047 170.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 47.1 mt -59.43 -46.69 88.03 Favored 'General case' 0 C--O 1.26 1.622 0 N-CA-C 112.28 0.474 . . . . 43.12 112.28 174.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -59.03 -43.36 91.61 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.986 0.735 . . . . 62.96 112.986 -179.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -90.89 4.37 6.34 Favored 'Isoleucine or valine' 0 C--O 1.257 1.494 0 CA-C-O 121.285 0.564 . . . . 47.07 111.79 -173.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 61.0 36.65 92.6 Favored Glycine 0 C--N 1.331 0.303 0 N-CA-C 115.947 1.139 . . . . 46.4 115.947 -175.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -86.14 -17.1 35.87 Favored 'General case' 0 C--O 1.249 1.033 0 CA-C-N 117.434 0.617 . . . . 56.39 111.853 165.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.1 mt -131.87 152.71 50.85 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 125.063 1.345 . . . . 43.31 107.761 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -141.81 147.24 36.93 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 124.581 1.176 . . . . 58.27 108.822 -176.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.62 136.48 43.91 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.818 -0.808 . . . . 60.48 108.818 172.917 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.4 m . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 116.717 2.117 . . . . 57.94 116.717 -172.79 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 stop_ save_