data_1pzw_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 1pzw _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 2' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 155' ' ' HOH . 3.1 t0 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 120.976 0.417 . . . . 71.87 110.096 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . 0.426 ' O ' ' OG ' ' A' ' 49' ' ' SER . 1.2 tp -144.62 146.15 20.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.335 -0.393 . . . . 53.33 110.578 -174.8 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.0 t -68.52 125.87 27.86 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.229 -1.026 . . . . 42.18 108.229 175.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.1 tpt85 -55.29 -31.79 61.89 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.793 1.035 . . . . 48.38 113.793 178.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mp -84.75 -64.15 1.21 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.94 0.719 . . . . 40.92 112.94 -178.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.4 p -86.93 -13.93 43.32 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.167 0.803 . . . . 42.35 113.167 -173.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 mt 60.44 22.4 12.01 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 123.951 0.901 . . . . 50.23 113.391 177.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -89.7 163.05 15.27 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 107.59 -1.263 . . . . 75.92 107.59 -179.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.51 127.22 41.41 Favored Glycine 0 C--N 1.333 0.408 0 O-C-N 123.632 0.583 . . . . 68.43 114.32 -176.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 t -83.59 121.14 35.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 121.463 0.649 . . . . 79.37 109.338 171.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -59.54 -53.29 59.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.653 -1.158 . . . . 87.33 111.579 -176.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.71 -62.99 0.01 OUTLIER Glycine 0 C--N 1.331 0.25 0 N-CA-C 111.415 -0.674 . . . . 90.82 111.415 -179.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 161.05 -16.88 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.317 1.047 . . . . 91.08 112.825 -179.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -90.4 16.86 8.04 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 113.494 0.924 . . . . 98.05 113.494 175.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.9 mtm -105.14 1.8 28.7 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 107.744 -1.206 . . . . 88.16 107.744 161.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 94.7 m -126.71 146.38 50.24 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 114.339 1.237 . . . . 71.74 114.339 -165.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -97.19 142.64 28.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 106.552 -1.647 . . . . 59.23 106.552 168.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -79.23 123.73 27.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 106.09 -1.818 . . . . 56.34 106.09 169.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . 0.532 ' O ' ' OG ' ' A' ' 28' ' ' SER . 85.0 mt -65.91 -46.25 88.97 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 N-CA-C 107.118 -1.438 . . . . 54.41 107.118 175.413 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -122.21 153.43 38.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.998 -1.001 . . . . 66.15 109.861 175.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 23' ' ' VAL . 20.9 t70 -142.17 102.71 4.17 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.14 -0.35 . . . . 77.38 110.446 177.604 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 22' ' ' ASP . 21.8 t 40.79 118.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 115.269 1.581 . . . . 86.39 115.269 164.334 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 50.69 67.43 0.93 Allowed 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 106.044 -1.836 . . . . 92.25 106.044 -168.188 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m -86.0 -129.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.075 -1.421 . . . . 90.77 110.731 -165.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.36 131.93 0.08 OUTLIER Glycine 0 C--N 1.333 0.408 0 N-CA-C 108.582 -1.807 . . . . 87.66 108.582 -169.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 65.26 116.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.404 -0.591 . . . . 86.97 109.404 -177.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . 0.532 ' OG ' ' O ' ' A' ' 20' ' ' ILE . 11.8 t -133.58 -29.59 1.34 Allowed 'General case' 0 C--O 1.237 0.435 0 N-CA-C 115.519 1.674 . . . . 72.5 115.519 -173.662 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.9 mttp 74.14 -52.27 0.69 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.538 0.735 . . . . 63.22 110.58 -167.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.27 -48.2 90.04 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 N-CA-C 108.144 -1.058 . . . . 45.1 108.144 174.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.02 91.21 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.773 -0.371 . . . . 38.9 111.795 -179.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -61.44 -41.24 96.89 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.468 1.107 . . . . 60.06 110.877 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.3 t -71.56 -44.73 70.05 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-N 116.449 -0.341 . . . . 31.64 110.27 -179.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.51 -37.22 80.41 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 111.972 0.36 . . . . 37.14 111.972 176.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 67.7 mtm-85 -66.26 -31.92 73.02 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 111.969 0.359 . . . . 57.59 111.969 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -67.03 -28.84 68.56 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 114.382 1.253 . . . . 43.5 114.382 178.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -116.21 -6.21 11.86 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 117.006 2.225 . . . . 35.5 117.006 -173.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -124.58 164.82 19.01 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.691 0.678 . . . . 41.92 111.513 178.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 37.9 p90 -95.06 -21.02 18.83 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.431 1.093 . . . . 58.15 111.98 -167.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -91.05 171.26 9.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.134 0.492 . . . . 59.42 110.7 175.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -99.81 149.69 23.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.728 -0.669 . . . . 78.93 111.477 -177.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -117.5 112.31 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 108.049 -1.093 . . . . 72.72 108.049 177.018 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.41 151.44 78.26 Favored Pre-proline 0 N--CA 1.468 0.466 0 N-CA-C 112.854 0.687 . . . . 79.41 112.854 -172.918 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -42.66 -47.44 7.79 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.55 2.167 . . . . 81.86 114.595 -178.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.82 -91.24 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.226 0.824 . . . . 85.82 113.226 -178.551 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.86 109.87 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.648 0.981 . . . . 82.38 113.648 -178.764 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.79 -22.46 36.27 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.837 -0.62 . . . . 83.06 110.383 165.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 mm -77.81 -69.46 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.143 0 C-N-CA 123.211 0.604 . . . . 71.77 111.77 -170.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 3' ' ' ILE . 44.2 t 175.65 155.94 0.19 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.138 -0.937 . . . . 63.61 109.985 -167.843 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -132.24 28.8 4.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.618 -0.882 . . . . 64.95 108.618 178.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -129.51 149.51 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 108.03 -1.1 . . . . 49.53 108.03 -179.894 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.1 tt -132.39 129.83 59.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 109.207 -0.664 . . . . 37.74 109.207 174.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.9 p -67.04 153.99 42.3 Favored 'General case' 0 N--CA 1.436 -1.137 0 CA-C-O 121.39 0.614 . . . . 37.3 109.648 -179.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -62.42 -29.04 70.21 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.184 -0.462 . . . . 56.22 110.562 -178.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.7 t -63.52 -42.51 96.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-O 121.305 0.574 . . . . 37.11 111.234 179.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.4 m -75.04 -41.51 59.01 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.701 -0.851 . . . . 32.07 108.701 178.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -65.76 -36.24 83.0 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 120.124 -0.63 . . . . 29.95 110.925 -176.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.7 t -62.79 -40.26 96.76 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 119.633 -0.827 . . . . 38.43 110.292 179.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -69.02 -41.41 77.76 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 121.23 0.538 . . . . 55.93 110.122 -179.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.1 t -71.17 -45.41 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 121.445 -0.784 . . . . 29.26 111.26 -178.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.2 p -69.18 -39.8 78.49 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.175 0.435 . . . . 27.08 112.175 -177.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -58.91 -45.6 89.92 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 121.219 -0.192 . . . . 41.82 111.135 170.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -64.88 -40.3 94.9 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 118.554 -1.259 . . . . 28.48 112.069 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -63.61 -41.38 98.31 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 112.491 0.552 . . . . 36.19 112.491 -178.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -58.38 -43.02 88.32 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.175 0.512 . . . . 45.31 110.007 175.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -62.53 -50.0 73.1 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 116.122 -0.49 . . . . 30.73 110.816 175.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -53.39 -40.41 65.03 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 124.442 1.097 . . . . 42.68 111.73 -179.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.4 t -68.59 -37.92 78.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 C-N-CA 123.562 0.745 . . . . 38.44 110.026 -179.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.4 p -65.85 -38.03 87.76 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.93 -0.308 . . . . 34.21 111.138 176.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 32.6 mm -67.35 -43.26 87.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.663 -0.244 . . . . 29.43 110.774 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -58.23 -44.97 88.49 Favored 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 120.174 -0.611 . . . . 44.25 109.836 179.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -59.64 -44.18 93.6 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 112.465 0.543 . . . . 60.1 112.465 -179.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.04 95.75 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.299 0.571 . . . . 32.54 111.63 178.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -69.19 -37.81 78.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.993 -0.549 . . . . 30.36 111.214 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.3 t -64.08 -48.43 85.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 N-CA-C 109.612 -0.514 . . . . 31.99 109.612 179.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 84.6 mt -60.35 -43.92 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.348 -0.387 . . . . 36.16 110.52 179.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -63.77 -45.97 87.38 Favored 'General case' 0 C--N 1.276 -2.597 0 O-C-N 119.914 -1.741 . . . . 46.81 111.541 -178.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.86 -20.09 64.27 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 114.111 1.152 . . . . 39.75 114.111 -179.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.7 p -105.39 4.5 30.84 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 114.583 1.327 . . . . 46.79 114.583 -179.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.9 m -111.35 144.28 40.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 58.58 111.316 179.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.233 0.233 0 N-CA-C 112.423 0.527 . . . . 65.12 112.423 179.627 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . 0.415 ' O ' ' N ' ' A' ' 2' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 155' ' ' HOH . 3.1 t0 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 120.976 0.417 . . . . 71.87 110.096 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 tp -144.62 146.15 20.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.335 -0.393 . . . . 53.33 110.578 -174.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.0 t -68.52 125.87 27.86 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.229 -1.026 . . . . 42.18 108.229 175.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.1 tpt85 -55.29 -31.79 61.89 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.793 1.035 . . . . 48.38 113.793 178.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mp -84.75 -64.15 1.21 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.94 0.719 . . . . 40.92 112.94 -178.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.4 p -86.93 -13.93 43.32 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.167 0.803 . . . . 42.35 113.167 -173.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 mt 60.44 22.4 12.01 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 123.951 0.901 . . . . 50.23 113.391 177.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -89.7 163.05 15.27 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 107.59 -1.263 . . . . 75.92 107.59 -179.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.51 127.22 41.41 Favored Glycine 0 C--N 1.333 0.408 0 O-C-N 123.632 0.583 . . . . 68.43 114.32 -176.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 t -83.59 121.14 35.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 121.463 0.649 . . . . 79.37 109.338 171.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -59.54 -53.29 59.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.653 -1.158 . . . . 87.33 111.579 -176.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLY . . . . . 0.504 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -147.71 -62.99 0.01 OUTLIER Glycine 0 C--N 1.331 0.25 0 N-CA-C 111.415 -0.674 . . . . 90.82 111.415 -179.942 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 13' ' ' GLY . . . 161.05 -16.88 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.317 1.047 . . . . 91.08 112.825 -179.518 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -90.4 16.86 8.04 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 113.494 0.924 . . . . 98.05 113.494 175.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.9 mtm -105.14 1.8 28.7 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 107.744 -1.206 . . . . 88.16 107.744 161.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 94.7 m -126.71 146.38 50.24 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 114.339 1.237 . . . . 71.74 114.339 -165.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -97.19 142.64 28.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 106.552 -1.647 . . . . 59.23 106.552 168.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 153' ' ' HOH . 27.5 mm100 -79.23 123.73 27.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 106.09 -1.818 . . . . 56.34 106.09 169.917 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 85.0 mt -65.91 -46.25 88.97 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 N-CA-C 107.118 -1.438 . . . . 54.41 107.118 175.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -122.21 153.43 38.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.998 -1.001 . . . . 66.15 109.861 175.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 23' ' ' VAL . 20.9 t70 -142.17 102.71 4.17 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.14 -0.35 . . . . 77.38 110.446 177.604 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 22' ' ' ASP . 21.8 t 40.79 118.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 115.269 1.581 . . . . 86.39 115.269 164.334 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 50.69 67.43 0.93 Allowed 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 106.044 -1.836 . . . . 92.25 106.044 -168.188 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m -86.0 -129.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.075 -1.421 . . . . 90.77 110.731 -165.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.36 131.93 0.08 OUTLIER Glycine 0 C--N 1.333 0.408 0 N-CA-C 108.582 -1.807 . . . . 87.66 108.582 -169.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 65.26 116.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.404 -0.591 . . . . 86.97 109.404 -177.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.8 t -133.58 -29.59 1.34 Allowed 'General case' 0 C--O 1.237 0.435 0 N-CA-C 115.519 1.674 . . . . 72.5 115.519 -173.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.9 mttp 74.14 -52.27 0.69 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.538 0.735 . . . . 63.22 110.58 -167.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.27 -48.2 90.04 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 N-CA-C 108.144 -1.058 . . . . 45.1 108.144 174.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.02 91.21 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.773 -0.371 . . . . 38.9 111.795 -179.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -61.44 -41.24 96.89 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.468 1.107 . . . . 60.06 110.877 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.3 t -71.56 -44.73 70.05 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-N 116.449 -0.341 . . . . 31.64 110.27 -179.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.51 -37.22 80.41 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 111.972 0.36 . . . . 37.14 111.972 176.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 67.7 mtm-85 -66.26 -31.92 73.02 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 111.969 0.359 . . . . 57.59 111.969 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -67.03 -28.84 68.56 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 114.382 1.253 . . . . 43.5 114.382 178.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -116.21 -6.21 11.86 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 117.006 2.225 . . . . 35.5 117.006 -173.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -124.58 164.82 19.01 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.691 0.678 . . . . 41.92 111.513 178.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 37.9 p90 -95.06 -21.02 18.83 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.431 1.093 . . . . 58.15 111.98 -167.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -91.05 171.26 9.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.134 0.492 . . . . 59.42 110.7 175.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -99.81 149.69 23.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.728 -0.669 . . . . 78.93 111.477 -177.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -117.5 112.31 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 108.049 -1.093 . . . . 72.72 108.049 177.018 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.41 151.44 78.26 Favored Pre-proline 0 N--CA 1.468 0.466 0 N-CA-C 112.854 0.687 . . . . 79.41 112.854 -172.918 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -42.66 -47.44 7.79 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.55 2.167 . . . . 81.86 114.595 -178.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.82 -91.24 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.226 0.824 . . . . 85.82 113.226 -178.551 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.86 109.87 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.648 0.981 . . . . 82.38 113.648 -178.764 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.79 -22.46 36.27 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.837 -0.62 . . . . 83.06 110.383 165.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 mm -77.81 -69.46 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.143 0 C-N-CA 123.211 0.604 . . . . 71.77 111.77 -170.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.2 t 175.65 155.94 0.19 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.138 -0.937 . . . . 63.61 109.985 -167.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 115' ' ' HOH . 43.7 pttt -132.24 28.8 4.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.618 -0.882 . . . . 64.95 108.618 178.931 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -129.51 149.51 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 108.03 -1.1 . . . . 49.53 108.03 -179.894 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.1 tt -132.39 129.83 59.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 109.207 -0.664 . . . . 37.74 109.207 174.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.9 p -67.04 153.99 42.3 Favored 'General case' 0 N--CA 1.436 -1.137 0 CA-C-O 121.39 0.614 . . . . 37.3 109.648 -179.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -62.42 -29.04 70.21 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.184 -0.462 . . . . 56.22 110.562 -178.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.7 t -63.52 -42.51 96.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-O 121.305 0.574 . . . . 37.11 111.234 179.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.4 m -75.04 -41.51 59.01 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.701 -0.851 . . . . 32.07 108.701 178.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -65.76 -36.24 83.0 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 120.124 -0.63 . . . . 29.95 110.925 -176.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.7 t -62.79 -40.26 96.76 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 119.633 -0.827 . . . . 38.43 110.292 179.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -69.02 -41.41 77.76 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 121.23 0.538 . . . . 55.93 110.122 -179.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.1 t -71.17 -45.41 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 121.445 -0.784 . . . . 29.26 111.26 -178.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.2 p -69.18 -39.8 78.49 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.175 0.435 . . . . 27.08 112.175 -177.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -58.91 -45.6 89.92 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 121.219 -0.192 . . . . 41.82 111.135 170.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -64.88 -40.3 94.9 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 118.554 -1.259 . . . . 28.48 112.069 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -63.61 -41.38 98.31 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 112.491 0.552 . . . . 36.19 112.491 -178.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -58.38 -43.02 88.32 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.175 0.512 . . . . 45.31 110.007 175.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -62.53 -50.0 73.1 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 116.122 -0.49 . . . . 30.73 110.816 175.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -53.39 -40.41 65.03 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 124.442 1.097 . . . . 42.68 111.73 -179.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.4 t -68.59 -37.92 78.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 C-N-CA 123.562 0.745 . . . . 38.44 110.026 -179.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.4 p -65.85 -38.03 87.76 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.93 -0.308 . . . . 34.21 111.138 176.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 32.6 mm -67.35 -43.26 87.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.663 -0.244 . . . . 29.43 110.774 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -58.23 -44.97 88.49 Favored 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 120.174 -0.611 . . . . 44.25 109.836 179.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -59.64 -44.18 93.6 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 112.465 0.543 . . . . 60.1 112.465 -179.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.04 95.75 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.299 0.571 . . . . 32.54 111.63 178.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -69.19 -37.81 78.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.993 -0.549 . . . . 30.36 111.214 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.3 t -64.08 -48.43 85.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 N-CA-C 109.612 -0.514 . . . . 31.99 109.612 179.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 84.6 mt -60.35 -43.92 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.348 -0.387 . . . . 36.16 110.52 179.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -63.77 -45.97 87.38 Favored 'General case' 0 C--N 1.276 -2.597 0 O-C-N 119.914 -1.741 . . . . 46.81 111.541 -178.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.86 -20.09 64.27 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 114.111 1.152 . . . . 39.75 114.111 -179.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.7 p -105.39 4.5 30.84 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 114.583 1.327 . . . . 46.79 114.583 -179.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.9 m -111.35 144.28 40.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 58.58 111.316 179.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.233 0.233 0 N-CA-C 112.423 0.527 . . . . 65.12 112.423 179.627 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.462 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . 0.504 ' O ' ' HB2' ' A' ' 50' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . 0.51 ' O ' ' NE2' ' A' ' 19' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . 0.415 ' O ' ' N ' ' A' ' 2' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 155' ' ' HOH . 3.1 t0 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 120.976 0.417 . . . . 71.870000000000005 110.096 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 tp -144.62 146.15 20.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.335 -0.393 . . . . 53.329999999999998 110.578 -174.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.0 t -68.52 125.87 27.86 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.229 -1.026 . . . . 42.18 108.229 175.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.1 tpt85 -55.29 -31.79 61.89 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.793 1.035 . . . . 48.380000000000003 113.793 178.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mp -84.75 -64.15 1.21 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.94 0.719 . . . . 40.920000000000002 112.94 -178.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.4 p -86.93 -13.93 43.32 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.167 0.803 . . . . 42.350000000000001 113.167 -173.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 30.9 mt 60.44 22.4 12.01 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 123.951 0.901 . . . . 50.229999999999997 113.391 177.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -89.7 163.05 15.27 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 107.59 -1.263 . . . . 75.920000000000002 107.59 -179.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.51 127.22 41.41 Favored Glycine 0 C--N 1.333 0.408 0 O-C-N 123.632 0.583 . . . . 68.430000000000007 114.32 -176.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 t -83.59 121.14 35.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 121.463 0.649 . . . . 79.370000000000005 109.338 171.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -59.54 -53.29 59.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.653 -1.158 . . . . 87.329999999999998 111.579 -176.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.504 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -147.71 -62.99 0.01 OUTLIER Glycine 0 C--N 1.331 0.25 0 N-CA-C 111.415 -0.674 . . . . 90.819999999999993 111.415 -179.942 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 13' ' ' GLY . . . 161.05 -16.88 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.317 1.047 . . . . 91.079999999999998 112.825 -179.518 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -90.4 16.86 8.04 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 113.494 0.924 . . . . 98.049999999999997 113.494 175.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.9 mtm -105.14 1.8 28.7 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 107.744 -1.206 . . . . 88.159999999999997 107.744 161.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 94.7 m -126.71 146.38 50.24 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 114.339 1.237 . . . . 71.739999999999995 114.339 -165.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -97.19 142.64 28.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 106.552 -1.647 . . . . 59.229999999999997 106.552 168.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -79.23 123.73 27.7 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 106.09 -1.818 . . . . 56.340000000000003 106.09 169.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 85.0 mt -65.91 -46.25 88.97 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 N-CA-C 107.118 -1.438 . . . . 54.409999999999997 107.118 175.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -122.21 153.43 38.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.998 -1.001 . . . . 66.150000000000006 109.861 175.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 23' ' ' VAL . 20.9 t70 -142.17 102.71 4.17 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.14 -0.35 . . . . 77.379999999999995 110.446 177.604 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 22' ' ' ASP . 21.8 t 40.79 118.88 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 115.269 1.581 . . . . 86.390000000000001 115.269 164.334 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 50.69 67.43 0.93 Allowed 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 106.044 -1.836 . . . . 92.25 106.044 -168.188 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m -86.0 -129.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.075 -1.421 . . . . 90.769999999999996 110.731 -165.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.36 131.93 0.08 OUTLIER Glycine 0 C--N 1.333 0.408 0 N-CA-C 108.582 -1.807 . . . . 87.659999999999997 108.582 -169.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 65.26 116.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.404 -0.591 . . . . 86.969999999999999 109.404 -177.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.8 t -133.58 -29.59 1.34 Allowed 'General case' 0 C--O 1.237 0.435 0 N-CA-C 115.519 1.674 . . . . 72.5 115.519 -173.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.9 mttp 74.14 -52.27 0.69 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.538 0.735 . . . . 63.219999999999999 110.58 -167.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.27 -48.2 90.04 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 N-CA-C 108.144 -1.058 . . . . 45.100000000000001 108.144 174.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.02 91.21 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.773 -0.371 . . . . 38.899999999999999 111.795 -179.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -61.44 -41.24 96.89 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.468 1.107 . . . . 60.060000000000002 110.877 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.3 t -71.56 -44.73 70.05 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-N 116.449 -0.341 . . . . 31.640000000000001 110.27 -179.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.51 -37.22 80.41 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 111.972 0.36 . . . . 37.140000000000001 111.972 176.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 67.7 mtm-85 -66.26 -31.92 73.02 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 111.969 0.359 . . . . 57.590000000000003 111.969 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -67.03 -28.84 68.56 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 114.382 1.253 . . . . 43.5 114.382 178.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -116.21 -6.21 11.86 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 117.006 2.225 . . . . 35.5 117.006 -173.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -124.58 164.82 19.01 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.691 0.678 . . . . 41.920000000000002 111.513 178.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 37.9 p90 -95.06 -21.02 18.83 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.431 1.093 . . . . 58.149999999999999 111.98 -167.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -91.05 171.26 9.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.134 0.492 . . . . 59.420000000000002 110.7 175.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -99.81 149.69 23.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.728 -0.669 . . . . 78.930000000000007 111.477 -177.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -117.5 112.31 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 108.049 -1.093 . . . . 72.719999999999999 108.049 177.018 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.41 151.44 78.26 Favored Pre-proline 0 N--CA 1.468 0.466 0 N-CA-C 112.854 0.687 . . . . 79.409999999999997 112.854 -172.918 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -42.66 -47.44 7.79 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 122.55 2.167 . . . . 81.859999999999999 114.595 -178.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.82 -91.24 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.226 0.824 . . . . 85.819999999999993 113.226 -178.551 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.86 109.87 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.648 0.981 . . . . 82.379999999999995 113.648 -178.764 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.79 -22.46 36.27 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.837 -0.62 . . . . 83.060000000000002 110.383 165.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 mm -77.81 -69.46 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.143 0 C-N-CA 123.211 0.604 . . . . 71.769999999999996 111.77 -170.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.2 t 175.65 155.94 0.19 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.138 -0.937 . . . . 63.609999999999999 109.985 -167.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 115' ' ' HOH . 43.7 pttt -132.24 28.8 4.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.618 -0.882 . . . . 64.950000000000003 108.618 178.931 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -129.51 149.51 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 108.03 -1.1 . . . . 49.530000000000001 108.03 -179.894 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 16.1 tt -132.39 129.83 59.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 109.207 -0.664 . . . . 37.740000000000002 109.207 174.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.9 p -67.04 153.99 42.3 Favored 'General case' 0 N--CA 1.436 -1.137 0 CA-C-O 121.39 0.614 . . . . 37.299999999999997 109.648 -179.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -62.42 -29.04 70.21 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.184 -0.462 . . . . 56.219999999999999 110.562 -178.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.7 t -63.52 -42.51 96.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-O 121.305 0.574 . . . . 37.109999999999999 111.234 179.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 67.4 m -75.04 -41.51 59.01 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.701 -0.851 . . . . 32.07 108.701 178.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -65.76 -36.24 83.0 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 120.124 -0.63 . . . . 29.949999999999999 110.925 -176.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.7 t -62.79 -40.26 96.76 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 119.633 -0.827 . . . . 38.43 110.292 179.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -69.02 -41.41 77.76 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 121.23 0.538 . . . . 55.93 110.122 -179.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.1 t -71.17 -45.41 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 121.445 -0.784 . . . . 29.260000000000002 111.26 -178.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.2 p -69.18 -39.8 78.49 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.175 0.435 . . . . 27.079999999999998 112.175 -177.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -58.91 -45.6 89.92 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 121.219 -0.192 . . . . 41.82 111.135 170.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -64.88 -40.3 94.9 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 118.554 -1.259 . . . . 28.48 112.069 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -63.61 -41.38 98.31 Favored 'General case' 0 C--O 1.224 -0.263 0 N-CA-C 112.491 0.552 . . . . 36.189999999999998 112.491 -178.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -58.38 -43.02 88.32 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 121.175 0.512 . . . . 45.310000000000002 110.007 175.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -62.53 -50.0 73.1 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 116.122 -0.49 . . . . 30.73 110.816 175.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -53.39 -40.41 65.03 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 124.442 1.097 . . . . 42.68 111.73 -179.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.4 t -68.59 -37.92 78.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 C-N-CA 123.562 0.745 . . . . 38.439999999999998 110.026 -179.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.4 p -65.85 -38.03 87.76 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.93 -0.308 . . . . 34.210000000000001 111.138 176.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 32.6 mm -67.35 -43.26 87.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.663 -0.244 . . . . 29.43 110.774 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -58.23 -44.97 88.49 Favored 'General case' 0 CA--C 1.513 -0.46 0 C-N-CA 120.174 -0.611 . . . . 44.25 109.836 179.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -59.64 -44.18 93.6 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 112.465 0.543 . . . . 60.100000000000001 112.465 -179.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.04 95.75 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.299 0.571 . . . . 32.539999999999999 111.63 178.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -69.19 -37.81 78.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.993 -0.549 . . . . 30.359999999999999 111.214 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.3 t -64.08 -48.43 85.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 N-CA-C 109.612 -0.514 . . . . 31.989999999999998 109.612 179.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 84.6 mt -60.35 -43.92 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.348 -0.387 . . . . 36.159999999999997 110.52 179.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -63.77 -45.97 87.38 Favored 'General case' 0 C--N 1.276 -2.597 0 O-C-N 119.914 -1.741 . . . . 46.810000000000002 111.541 -178.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.86 -20.09 64.27 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 114.111 1.152 . . . . 39.75 114.111 -179.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.7 p -105.39 4.5 30.84 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 114.583 1.327 . . . . 46.789999999999999 114.583 -179.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.9 m -111.35 144.28 40.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 58.579999999999998 111.316 179.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.233 0.233 0 N-CA-C 112.423 0.527 . . . . 65.120000000000005 112.423 179.627 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.462 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . 0.504 ' O ' ' HB2' ' A' ' 50' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . 0.415 ' O ' ' N ' ' A' ' 2' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_