data_5v7c_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 5v7c _Structure_validation_residue.Date_analyzed 2017-04-14 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 ' B' B ' 796' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 . . . . . 0 N--CA 1.441 -0.908 0 N-CA-C 114.425 1.269 . . . . 55.880000000000003 114.425 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -65.6 133.66 95.24 Favored Pre-proline 0 C--O 1.195 -1.764 0 N-CA-C 109.77 -0.455 . . . . 44.18 109.77 -179.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 798' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -51.09 -23.88 13.44 Favored 'Trans proline' 0 C--O 1.197 -1.56 0 C-N-CA 117.367 -1.289 . . . . 39.210000000000001 114.108 -177.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 799' ' ' SER . . . . . . . . . . . . . 8.3 p -72.49 -13.44 61.43 Favored 'General case' 0 C--O 1.193 -1.874 0 N-CA-C 113.108 0.781 . . . . 40.829999999999998 113.108 -178.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 800' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -116.4 -37.1 3.82 Favored 'General case' 0 C--O 1.175 -2.816 0 CA-C-N 116.441 -0.345 . . . . 40.25 110.291 179.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 801' ' ' GLU . . . . . 0.665 ' OE2' ' NZ ' ' B' ' 804' ' ' LYS . 27.9 tp10 -62.73 -33.59 75.45 Favored 'General case' 0 C--O 1.197 -1.661 0 C-N-CA 123.406 0.682 . . . . 49.0 111.912 178.938 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 802' ' ' LEU . . . . . . . . . . . . . 23.0 mt -79.03 -0.86 32.96 Favored 'General case' 0 C--O 1.186 -2.279 0 CA-C-N 116.432 -0.349 . . . . 36.109999999999999 110.865 -179.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 803' ' ' LEU . . . . . . . . . . . . . 65.9 mt -101.03 -9.41 21.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.642 0.258 . . . . 40.060000000000002 111.414 178.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 804' ' ' LYS . . . . . 0.665 ' NZ ' ' OE2' ' B' ' 801' ' ' GLU . 46.5 mtpt -68.74 157.69 35.82 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.372 -0.377 . . . . 49.909999999999997 111.04 178.77 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 805' ' ' GLU . . . . . . . . . . . . . . . -39.29 -50.84 2.02 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 114.88 1.437 . . . . 54.68 114.88 -173.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 806' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -129.06 32.72 4.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.813 0.339 . . . . 59.979999999999997 110.838 179.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 807' ' ' GLY . . . . . . . . . . . . . . . -84.69 -10.93 78.32 Favored Glycine 0 C--N 1.331 0.274 0 N-CA-C 116.22 1.248 . . . . 50.009999999999998 116.22 -175.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 808' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -84.35 121.47 27.58 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.832 0.679 . . . . 41.170000000000002 112.832 -176.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 809' ' ' THR . . . . . . . . . . . . . 46.7 p -127.27 149.29 50.08 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.075 -0.713 . . . . 37.25 109.075 166.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 810' ' ' GLN . . . . . . . . . . . . . . . -59.18 -40.92 87.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.389 -0.369 . . . . 35.909999999999997 111.614 -179.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 811' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -63.42 -47.18 82.98 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.683 0.623 . . . . 34.799999999999997 112.683 -176.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 812' ' ' VAL . . . . . . . . . . . . . 28.0 t -66.18 -44.03 91.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 38.200000000000003 111.459 -177.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 813' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -61.7 -47.85 83.43 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.444 0.535 . . . . 32.990000000000002 112.444 -179.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 814' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -60.42 -44.67 95.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.431 -0.35 . . . . 34.130000000000003 111.79 -179.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 815' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -59.72 -43.47 94.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.426 0.631 . . . . 35.759999999999998 110.628 176.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 816' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -72.77 -37.85 67.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.157 -0.928 . . . . 33.090000000000003 112.067 -178.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 817' ' ' ARG . . . . . 0.557 ' NH2' ' OE2' ' B' ' 857' ' ' GLU . 59.1 ttt-85 -64.53 -38.4 90.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.521 -0.309 . . . . 33.159999999999997 111.052 175.826 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 818' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -64.15 -43.5 95.03 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 113.667 0.988 . . . . 32.280000000000001 113.667 178.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 819' ' ' ARG . . . . . . . . . . . . . . . -63.29 -40.71 98.13 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 112.742 0.645 . . . . 30.510000000000002 112.742 179.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 820' ' ' CYS . . . . . . . . . . . . . 80.1 m -65.51 -43.8 88.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.168 -0.469 . . . . 30.359999999999999 111.338 179.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 821' ' ' LEU . . . . . . . . . . . . . 53.2 mt -65.11 -41.54 94.83 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 116.032 -0.531 . . . . 31.449999999999999 111.128 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 822' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -63.89 -42.17 97.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 34.369999999999997 111.651 179.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 823' ' ' GLU . . . . . 0.947 ' OE1' ' OG ' ' B' ' 832' ' ' SER . 15.4 tt0 -64.31 -40.41 95.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.319 -0.401 . . . . 33.520000000000003 110.555 179.396 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 824' ' ' ARG . . . . . . . . . . . . . 69.6 ttt-85 -62.82 -42.6 99.79 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.192 -0.67 . . . . 32.350000000000001 109.192 179.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 825' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -64.08 -44.23 93.0 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.749 0.309 . . . . 43.25 110.851 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 826' ' ' ARG . . . . . . . . . . . . . 34.8 ttp-105 -66.57 -45.27 79.86 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 115.998 1.851 . . . . 42.549999999999997 115.998 -179.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 827' ' ' LEU . . . . . . . . . . . . . 39.9 mt -98.46 -4.17 35.1 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 115.606 1.706 . . . . 36.880000000000003 115.606 -178.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 828' ' ' GLY . . . . . . . . . . . . . . . 86.92 170.31 46.7 Favored Glycine 0 C--O 1.223 -0.54 0 N-CA-C 114.642 0.617 . . . . 32.549999999999997 114.642 -179.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 829' ' ' ILE . . . . . . . . . . . . . 92.6 mt -68.69 136.41 26.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 113.518 0.933 . . . . 36.149999999999999 113.518 -179.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 830' ' ' GLY . . . . . . . . . . . . . . . 78.5 3.23 86.21 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.515 -0.766 . . . . 37.159999999999997 113.948 179.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 831' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -114.49 9.36 16.7 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 115.942 1.83 . . . . 41.340000000000003 115.942 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 832' ' ' SER . . . . . 0.947 ' OG ' ' OE1' ' B' ' 823' ' ' GLU . 29.9 t -111.2 121.93 46.57 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.406 0.891 . . . . 32.719999999999999 113.406 -179.196 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 833' ' ' GLN . . . . . . . . . . . . . . . -64.62 -39.54 93.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.685 -0.689 . . . . 29.52 110.333 178.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 834' ' ' GLU . . . . . 0.431 ' O ' ' OG1' ' B' ' 837' ' ' THR . 26.5 mm-40 -65.38 -42.6 92.5 Favored 'General case' 0 C--O 1.269 2.123 0 N-CA-C 117.871 2.545 . . . . 39.039999999999999 117.871 179.69 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 835' ' ' MET . . . . . . . . . . . . . 6.8 tpt -56.43 -32.16 64.61 Favored 'General case' 0 N--CA 1.411 -2.406 0 CA-C-N 110.422 -3.081 . . . . 37.969999999999999 108.194 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 836' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -72.67 -35.14 67.62 Favored 'General case' 0 C--O 1.195 -1.786 0 N-CA-C 106.853 -1.536 . . . . 31.98 106.853 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 837' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' B' ' 834' ' ' GLU . 42.2 p -69.76 -33.82 72.94 Favored 'General case' 0 C--O 1.185 -2.308 0 CA-C-O 121.776 0.798 . . . . 32.969999999999999 110.168 -179.414 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 838' ' ' LEU . . . . . . . . . . . . . 55.6 tp -73.65 -35.0 65.2 Favored 'General case' 0 C--O 1.183 -2.42 0 CA-C-N 115.133 -0.94 . . . . 30.579999999999998 110.588 -178.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 839' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -66.96 -47.1 72.64 Favored 'General case' 0 C--O 1.175 -2.855 0 N-CA-C 107.482 -1.303 . . . . 29.460000000000001 107.482 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 840' ' ' ARG . . . . . 0.465 ' NH1' ' O ' ' B' 1002 ' ' HOH . 55.8 ttt-85 -64.14 -41.34 97.24 Favored 'General case' 0 C--O 1.195 -1.806 0 CA-C-O 119.4 -0.333 . . . . 38.850000000000001 111.346 178.442 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 841' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -59.63 -40.96 89.34 Favored 'General case' 0 C--O 1.186 -2.272 0 N-CA-C 108.824 -0.806 . . . . 34.68 108.824 179.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 842' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -62.19 -49.05 77.32 Favored 'General case' 0 C--O 1.19 -2.043 0 N-CA-C 115.878 1.807 . . . . 32.859999999999999 115.878 -177.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 843' ' ' SER . . . . . . . . . . . . 0.361 79.9 p -62.85 -28.31 69.93 Favored 'General case' 0 C--O 1.184 -2.359 0 N-CA-C 117.465 2.394 . . . . 31.010000000000002 117.465 -179.298 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 844' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -86.92 -43.99 11.99 Favored 'General case' 0 C--O 1.185 -2.337 0 CA-C-O 121.043 0.449 . . . . 32.159999999999997 111.947 178.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 845' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -63.31 -42.44 99.03 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 113.56 0.948 . . . . 34.310000000000002 113.56 -176.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 846' ' ' LEU . . . . . . . . . . . . . 63.5 mt -66.24 -25.74 67.04 Favored 'General case' 0 C--O 1.204 -1.338 0 N-CA-C 113.342 0.868 . . . . 30.170000000000002 113.342 -178.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 847' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -62.62 -40.99 98.7 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 121.025 0.44 . . . . 34.359999999999999 110.255 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -94.56 -23.6 17.6 Favored 'General case' 0 C--O 1.203 -1.392 0 N-CA-C 114.901 1.445 . . . . 39.93 114.901 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 849' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -133.5 82.5 1.99 Allowed 'General case' 0 C--O 1.2 -1.515 0 C-N-CA 122.476 0.311 . . . . 32.57 111.181 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 850' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -70.28 122.95 20.52 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 119.621 -0.831 . . . . 32.729999999999997 111.926 -177.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 851' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -126.74 118.3 24.42 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.856 -1.164 . . . . 36.43 107.856 170.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 852' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -57.62 -51.36 69.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.991 -0.549 . . . . 30.969999999999999 112.135 -173.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 853' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -61.52 -36.47 80.63 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.352 0.501 . . . . 37.359999999999999 112.352 -179.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 854' ' ' MET . . . . . . . . . . . . . 11.2 ttp -68.86 -44.49 73.26 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.987 -0.375 . . . . 37.850000000000001 109.987 178.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 855' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -57.89 -38.82 76.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 31.399999999999999 111.255 177.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 856' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.92 -48.5 81.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.013 -0.54 . . . . 37.759999999999998 111.687 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 857' ' ' GLU . . . . . 0.557 ' OE2' ' NH2' ' B' ' 817' ' ' ARG . 63.6 tt0 -62.54 -44.45 96.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 34.0 110.863 178.966 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 858' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -50.81 -52.53 40.28 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.94 0.896 . . . . 28.469999999999999 110.25 173.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 859' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -63.52 -44.97 92.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.955 -0.566 . . . . 29.879999999999999 112.385 -176.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 860' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.27 -47.3 77.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 31.329999999999998 111.858 -178.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 861' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.17 -35.23 79.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 28.52 111.712 -178.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 862' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.68 84.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.075 0.464 . . . . 26.59 110.94 179.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 863' ' ' LEU . . . . . . . . . . . . . 85.7 mt -79.87 -28.64 39.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.1 -0.5 . . . . 27.52 111.378 -177.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 864' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -70.31 -34.81 73.15 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.181 -0.608 . . . . 31.530000000000001 109.53 175.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 865' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -67.76 -48.98 64.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.325 -0.398 . . . . 26.010000000000002 111.814 175.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.32 82.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 33.420000000000002 112.089 -174.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 867' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -73.21 -6.4 45.64 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.205 -0.598 . . . . 44.640000000000001 110.541 -179.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 868' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -99.77 -11.32 20.92 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.458 -0.337 . . . . 30.059999999999999 111.334 175.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 869' ' ' GLY . . . . . . . . . . . . . . . 110.55 -7.72 30.16 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 114.574 0.59 . . . . 28.399999999999999 114.574 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 870' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -104.14 102.64 12.37 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.503 -0.925 . . . . 32.57 108.503 -179.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 871' ' ' ARG . . . . . . . . . . . . . 42.7 mtp85 -99.18 9.28 43.76 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 115.416 1.636 . . . . 33.229999999999997 115.416 -163.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 872' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -63.78 -44.11 94.36 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.299 -0.56 . . . . 31.280000000000001 111.523 -175.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 873' ' ' GLY . . . . . . . . . . . . . . . -61.02 -36.63 92.59 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 116.003 -0.544 . . . . 27.140000000000001 112.766 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 874' ' ' LEU . . . . . . . . . . . . . 49.3 tp -72.09 -37.42 69.58 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 122.905 -0.174 . . . . 29.059999999999999 110.76 179.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 875' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -61.3 -41.86 97.69 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 110.017 -0.364 . . . . 34.399999999999999 110.017 175.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 876' ' ' CYS . . . . . . . . . . . . . 78.4 m -60.85 -36.88 80.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.381 -0.372 . . . . 29.48 111.575 175.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 877' ' ' LEU . . . . . . . . . . . . . 44.3 tp -69.52 -39.64 77.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 27.09 110.956 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 878' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -68.38 -38.78 81.67 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-N 115.192 -0.913 . . . . 27.82 110.718 176.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 879' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -65.07 -40.95 95.43 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 107.152 -1.425 . . . . 34.130000000000003 107.152 177.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 880' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -64.68 -42.74 95.15 Favored 'General case' 0 C--O 1.207 -1.141 0 C-N-CA 119.681 -0.808 . . . . 34.909999999999997 111.283 178.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 881' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -61.9 -47.74 83.58 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 120.466 -0.494 . . . . 30.640000000000001 111.712 -177.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 23.0 t -67.52 -47.32 70.29 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 115.161 1.541 . . . . 32.090000000000003 115.161 -179.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 883' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -72.3 -41.24 66.82 Favored 'General case' 0 C--O 1.21 -1.015 0 N-CA-C 116.801 2.148 . . . . 38.030000000000001 116.801 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 884' ' ' GLY . . . . . . . . . . . . . . . -73.0 -47.66 23.59 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 124.226 0.917 . . . . 36.560000000000002 114.322 -178.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 85.7 mt -68.22 -20.75 64.86 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 122.68 -0.306 . . . . 36.920000000000002 110.597 -179.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 886' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -69.19 -43.54 73.97 Favored 'General case' 0 C--O 1.199 -1.572 0 N-CA-C 107.877 -1.157 . . . . 40.289999999999999 107.877 174.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 887' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -68.56 -47.24 67.34 Favored 'General case' 0 C--O 1.194 -1.823 0 CA-C-N 114.764 -1.107 . . . . 49.979999999999997 113.594 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 888' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -151.01 122.35 7.83 Favored 'General case' 0 C--O 1.195 -1.782 0 N-CA-C 108.587 -0.894 . . . . 48.530000000000001 108.587 176.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 889' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -82.06 134.26 35.33 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 112.234 0.457 . . . . 44.289999999999999 112.234 -175.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 890' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -134.06 125.14 27.43 Favored 'General case' 0 C--O 1.211 -0.971 0 N-CA-C 105.976 -1.861 . . . . 42.399999999999999 105.976 175.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 891' ' ' LEU . . . . . . . . . . . . . 10.9 tp -63.62 -41.27 98.3 Favored 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 117.288 2.329 . . . . 42.93 117.288 -177.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 892' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.24 -38.83 90.75 Favored 'General case' 0 C--O 1.21 -1.007 0 CA-C-O 122.133 0.968 . . . . 43.490000000000002 112.406 179.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 893' ' ' ILE . . . . . . . . . . . . . 18.5 mm -72.07 -42.65 67.7 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.966 0 C-N-CA 128.813 2.845 . . . . 40.409999999999997 109.288 -178.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 894' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -68.62 -34.97 76.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.08 -0.509 . . . . 46.579999999999998 111.015 178.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 895' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -66.97 -37.27 83.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 44.270000000000003 110.83 175.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 896' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -62.58 -41.25 98.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.05 -0.523 . . . . 33.579999999999998 110.671 171.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 897' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -57.35 -51.4 69.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.389 -0.823 . . . . 31.57 109.937 -179.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 898' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -60.87 -42.47 97.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 48.810000000000002 111.02 179.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 899' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -63.04 -50.49 70.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.979 -0.555 . . . . 49.93 112.268 -177.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 900' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -69.7 -33.31 72.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.229 -0.441 . . . . 34.299999999999997 111.817 -179.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 901' ' ' THR . . . . . . . . . . . . . 91.5 m -61.45 -43.63 98.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.766 0.317 . . . . 35.469999999999999 110.41 177.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 902' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.38 -45.71 95.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.223 -0.444 . . . . 34.020000000000003 110.275 177.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 903' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -62.45 -38.49 90.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.475 -0.329 . . . . 35.700000000000003 111.541 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 904' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -65.77 -44.66 85.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 35.530000000000001 110.995 178.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 905' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -67.51 -37.73 83.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 39.490000000000002 111.436 179.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -68.41 -19.62 64.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.814 0.34 . . . . 47.829999999999998 110.313 178.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 907' ' ' ALA . . . . . . . . . . . . . . . -88.74 9.39 24.6 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.15 -0.477 . . . . 35.32 111.147 -179.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 908' ' ' GLY . . . . . . . . . . . . . . . 79.28 25.39 59.37 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.408 -0.425 . . . . 33.840000000000003 112.739 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 909' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -117.16 160.36 21.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.62 0.248 . . . . 35.990000000000002 111.22 -177.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 56.7 mt -122.24 -10.97 8.46 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 114.149 1.166 . . . . 32.509999999999998 114.149 -176.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 911' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -60.92 -46.98 88.49 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.774 -0.37 . . . . 32.649999999999999 111.375 -174.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 912' ' ' GLY . . . . . . . . . . . . . . . -60.82 -49.8 74.56 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.407 -0.425 . . . . 31.989999999999998 112.921 178.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 913' ' ' LEU . . . . . . . . . . . . . 45.2 tp -58.32 -42.22 86.25 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.217 0.451 . . . . 33.439999999999998 112.217 -179.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.67 -39.47 91.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.564 -0.289 . . . . 42.229999999999997 110.881 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 915' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -70.17 -32.75 70.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.428 -0.351 . . . . 31.66 111.923 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 916' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -72.66 -43.34 63.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.92 0.39 . . . . 36.68 110.769 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 917' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -58.72 -43.1 90.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 45.719999999999999 110.606 175.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 918' ' ' ALA . . . . . . . . . . . . . . . -62.65 -35.96 81.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.814 -0.63 . . . . 33.640000000000001 110.541 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 919' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -61.55 -50.65 71.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 37.439999999999998 110.735 178.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.38 -39.21 82.59 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.802 -0.359 . . . . 42.380000000000003 110.372 -179.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 921' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -62.57 -43.46 98.76 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.061 0.763 . . . . 52.490000000000002 113.061 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 922' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -98.86 -4.57 32.76 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 116.109 1.892 . . . . 46.93 116.109 -179.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 923' ' ' SER . . . . . . . . . . . . . 18.6 t -77.26 153.68 33.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.932 0.396 . . . . 52.369999999999997 111.884 -179.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 924' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 59.789999999999999 110.458 179.088 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 927' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.618 0 CA-C-O 122.239 1.018 . . . . 57.670000000000002 112.729 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 928' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.88 148.82 51.45 Favored 'General case' 0 C--O 1.195 -1.773 0 N-CA-C 116.738 2.125 . . . . 58.880000000000003 116.738 -177.054 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 929' ' ' ASP . . . . . . . . . . . . . . . -93.86 104.53 16.6 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-O 122.625 1.202 . . . . 54.850000000000001 108.845 177.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 930' ' ' ILE . . . . . . . . . . . . . 11.9 mm -88.16 152.6 3.36 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.024 0 CA-C-N 114.342 -1.299 . . . . 53.469999999999999 109.511 -178.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 931' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -70.28 128.08 91.68 Favored Pre-proline 0 C--N 1.298 -1.657 0 CA-C-N 115.034 -0.984 . . . . 55.789999999999999 109.178 178.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 932' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -59.39 -34.42 97.51 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 121.859 1.706 . . . . 54.740000000000002 112.839 -178.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 933' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -74.17 -30.66 62.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.157 0.503 . . . . 54.75 109.689 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 934' ' ' LEU . . . . . . . . . . . . . 26.2 tp -77.84 -32.13 51.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.553 -0.749 . . . . 44.759999999999998 110.252 177.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 935' ' ' GLN . . . . . . . . . . . . . . . -62.18 -34.51 76.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 45.530000000000001 109.861 176.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 936' ' ' GLU . . . . . . . . . . . . . . . -72.5 -34.94 67.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 42.640000000000001 111.208 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 937' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -66.11 -40.84 91.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 46.590000000000003 111.219 179.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 938' ' ' LEU . . . . . . . . . . . . . 21.8 mt -64.27 -36.0 82.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 55.149999999999999 111.117 179.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 939' ' ' GLY . . . . . . . . . . . . . . . -53.44 -34.36 48.73 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 116.319 -0.4 . . . . 51.609999999999999 112.535 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 940' ' ' LYS . . . . . . . . . . . . . . . -99.8 37.75 1.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 54.619999999999997 111.224 179.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 941' ' ' PHE . . . . . . . . . . . . . 40.0 t80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 50.420000000000002 111.115 -179.996 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.512 -1.636 0 C1'-C2'-O2' 104.565 -2.012 . 0.0 '__' . 49.25 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.51 -8.069 0 C2'-C3'-O3' 106.25 -1.696 . 0.491 2h . 37.57 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.513 -7.848 0 O4'-C1'-C2' 101.597 -3.43 . 0.137 1b . 43.189999999999998 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.522 -7.109 1 C4'-C3'-O3' 95.081 -5.969 . 0.0 OUTLIER gamma 57.640000000000001 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ' U' . . . . . 0.425 " O2'" " O5'" ' C' ' 6' ' ' ' C' . . . . . . . . 1 P--O3' 1.548 -4.905 0 C2'-C3'-O3' 117.667 2.381 OUTLIER-EPSILON 0.0 OUTLIER alpha 96.420000000000002 . . . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' ' C' . . . . . 0.5 " O2'" ' OP1' ' C' ' 7' ' ' ' C' . . . . . . . . 0 P--O3' 1.59 -1.402 0 C4'-C3'-C2' 105.309 2.609 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 106.31 . . . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ' C' . . . . . 0.5 ' OP1' " O2'" ' C' ' 6' ' ' ' C' . . . . . . . . 0 P--O3' 1.585 -1.874 0 C4'-C3'-C2' 104.318 1.618 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 113.5 . . . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.741 0 O5'-C5'-C4' 106.914 -2.347 . 0.01 6p . 63.75 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1002 ' ' HOH . . . . . 0.465 ' O ' ' NH1' ' B' ' 840' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 796' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 . . . . . 0 N--CA 1.441 -0.908 0 N-CA-C 114.425 1.269 . . . . 55.88 114.425 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -65.6 133.66 95.24 Favored Pre-proline 0 C--O 1.195 -1.764 0 N-CA-C 109.77 -0.455 . . . . 44.18 109.77 -179.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 798' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -51.09 -23.88 13.44 Favored 'Trans proline' 0 C--O 1.197 -1.56 0 C-N-CA 117.367 -1.289 . . . . 39.21 114.108 -177.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 799' ' ' SER . . . . . . . . . . . . . 8.3 p -72.49 -13.44 61.43 Favored 'General case' 0 C--O 1.193 -1.874 0 N-CA-C 113.108 0.781 . . . . 40.83 113.108 -178.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 800' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -116.4 -37.1 3.82 Favored 'General case' 0 C--O 1.175 -2.816 0 CA-C-N 116.441 -0.345 . . . . 40.25 110.291 179.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -62.73 -33.59 75.45 Favored 'General case' 0 C--O 1.197 -1.661 0 C-N-CA 123.406 0.682 . . . . 49.0 111.912 178.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 802' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' B' ' 808' ' ' PHE . 23.0 mt -79.03 -0.86 32.96 Favored 'General case' 0 C--O 1.186 -2.279 0 CA-C-N 116.432 -0.349 . . . . 36.11 110.865 -179.885 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 803' ' ' LEU . . . . . . . . . . . . . 65.9 mt -101.03 -9.41 21.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.642 0.258 . . . . 40.06 111.414 178.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 804' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -68.74 157.69 35.82 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.372 -0.377 . . . . 49.91 111.04 178.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 805' ' ' GLU . . . . . . . . . . . . . . . -39.29 -50.84 2.02 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 114.88 1.437 . . . . 54.68 114.88 -173.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 806' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -129.06 32.72 4.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.813 0.339 . . . . 59.98 110.838 179.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 807' ' ' GLY . . . . . . . . . . . . . . . -84.69 -10.93 78.32 Favored Glycine 0 C--N 1.331 0.274 0 N-CA-C 116.22 1.248 . . . . 50.01 116.22 -175.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 808' ' ' PHE . . . . . 0.495 ' HA ' HD23 ' B' ' 802' ' ' LEU . 51.6 t80 -84.35 121.47 27.58 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.832 0.679 . . . . 41.17 112.832 -176.015 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 809' ' ' THR . . . . . . . . . . . . . 46.7 p -127.27 149.29 50.08 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.075 -0.713 . . . . 37.25 109.075 166.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 810' ' ' GLN . . . . . . . . . . . . . . . -59.18 -40.92 87.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.389 -0.369 . . . . 35.91 111.614 -179.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 811' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -63.42 -47.18 82.98 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.683 0.623 . . . . 34.8 112.683 -176.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 812' ' ' VAL . . . . . . . . . . . . . 28.0 t -66.18 -44.03 91.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 38.2 111.459 -177.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 813' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -61.7 -47.85 83.43 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.444 0.535 . . . . 32.99 112.444 -179.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 814' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -60.42 -44.67 95.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.431 -0.35 . . . . 34.13 111.79 -179.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 815' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -59.72 -43.47 94.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.426 0.631 . . . . 35.76 110.628 176.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 816' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -72.77 -37.85 67.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.157 -0.928 . . . . 33.09 112.067 -178.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 817' ' ' ARG . . . . . 0.557 ' NH2' ' OE2' ' B' ' 857' ' ' GLU . 59.1 ttt-85 -64.53 -38.4 90.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.521 -0.309 . . . . 33.16 111.052 175.826 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 818' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -64.15 -43.5 95.03 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 113.667 0.988 . . . . 32.28 113.667 178.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 819' ' ' ARG . . . . . . . . . . . . . . . -63.29 -40.71 98.13 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 112.742 0.645 . . . . 30.51 112.742 179.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 820' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' B' ' 834' ' ' GLU . 80.1 m -65.51 -43.8 88.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.168 -0.469 . . . . 30.36 111.338 179.774 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 821' ' ' LEU . . . . . . . . . . . . . 53.2 mt -65.11 -41.54 94.83 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 116.032 -0.531 . . . . 31.45 111.128 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 822' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -63.89 -42.17 97.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 34.37 111.651 179.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 823' ' ' GLU . . . . . 0.947 ' OE1' ' OG ' ' B' ' 832' ' ' SER . 15.4 tt0 -64.31 -40.41 95.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.319 -0.401 . . . . 33.52 110.555 179.396 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 824' ' ' ARG . . . . . 0.857 ' HD2' ' HG2' ' B' ' 835' ' ' MET . 69.6 ttt-85 -62.82 -42.6 99.79 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.192 -0.67 . . . . 32.35 109.192 179.403 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 825' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -64.08 -44.23 93.0 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.749 0.309 . . . . 43.25 110.851 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 826' ' ' ARG . . . . . . . . . . . . . 34.8 ttp-105 -66.57 -45.27 79.86 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 115.998 1.851 . . . . 42.55 115.998 -179.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 827' ' ' LEU . . . . . . . . . . . . . 39.9 mt -98.46 -4.17 35.1 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 115.606 1.706 . . . . 36.88 115.606 -178.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 828' ' ' GLY . . . . . . . . . . . . . . . 86.92 170.31 46.7 Favored Glycine 0 C--O 1.223 -0.54 0 N-CA-C 114.642 0.617 . . . . 32.55 114.642 -179.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 829' ' ' ILE . . . . . . . . . . . . . 92.6 mt -68.69 136.41 26.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 113.518 0.933 . . . . 36.15 113.518 -179.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 830' ' ' GLY . . . . . . . . . . . . . . . 78.5 3.23 86.21 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.515 -0.766 . . . . 37.16 113.948 179.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 831' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -114.49 9.36 16.7 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 115.942 1.83 . . . . 41.34 115.942 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 832' ' ' SER . . . . . 0.947 ' OG ' ' OE1' ' B' ' 823' ' ' GLU . 29.9 t -111.2 121.93 46.57 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.406 0.891 . . . . 32.72 113.406 -179.196 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 833' ' ' GLN . . . . . . . . . . . . . . . -64.62 -39.54 93.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.685 -0.689 . . . . 29.52 110.333 178.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 834' ' ' GLU . . . . . 0.416 ' HB3' ' SG ' ' B' ' 820' ' ' CYS . 26.5 mm-40 -65.38 -42.6 92.5 Favored 'General case' 0 C--O 1.269 2.123 0 N-CA-C 117.871 2.545 . . . . 39.04 117.871 179.69 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 835' ' ' MET . . . . . 0.857 ' HG2' ' HD2' ' B' ' 824' ' ' ARG . 6.8 tpt -56.43 -32.16 64.61 Favored 'General case' 0 N--CA 1.411 -2.406 0 CA-C-N 110.422 -3.081 . . . . 37.97 108.194 179.407 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 836' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -72.67 -35.14 67.62 Favored 'General case' 0 C--O 1.195 -1.786 0 N-CA-C 106.853 -1.536 . . . . 31.98 106.853 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 837' ' ' THR . . . . . . . . . . . . . 42.2 p -69.76 -33.82 72.94 Favored 'General case' 0 C--O 1.185 -2.308 0 CA-C-O 121.776 0.798 . . . . 32.97 110.168 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 838' ' ' LEU . . . . . . . . . . . . . 55.6 tp -73.65 -35.0 65.2 Favored 'General case' 0 C--O 1.183 -2.42 0 CA-C-N 115.133 -0.94 . . . . 30.58 110.588 -178.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 839' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -66.96 -47.1 72.64 Favored 'General case' 0 C--O 1.175 -2.855 0 N-CA-C 107.482 -1.303 . . . . 29.46 107.482 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 840' ' ' ARG . . . . . . . . . . . . . 55.8 ttt-85 -64.14 -41.34 97.24 Favored 'General case' 0 C--O 1.195 -1.806 0 CA-C-O 119.4 -0.333 . . . . 38.85 111.346 178.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 841' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -59.63 -40.96 89.34 Favored 'General case' 0 C--O 1.186 -2.272 0 N-CA-C 108.824 -0.806 . . . . 34.68 108.824 179.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 842' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -62.19 -49.05 77.32 Favored 'General case' 0 C--O 1.19 -2.043 0 N-CA-C 115.878 1.807 . . . . 32.86 115.878 -177.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 843' ' ' SER . . . . . 0.662 ' O ' ' HG3' ' B' ' 847' ' ' ARG 0.361 79.9 p -62.85 -28.31 69.93 Favored 'General case' 0 C--O 1.184 -2.359 0 N-CA-C 117.465 2.394 . . . . 31.01 117.465 -179.298 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 844' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -86.92 -43.99 11.99 Favored 'General case' 0 C--O 1.185 -2.337 0 CA-C-O 121.043 0.449 . . . . 32.16 111.947 178.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 845' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -63.31 -42.44 99.03 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 113.56 0.948 . . . . 34.31 113.56 -176.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 846' ' ' LEU . . . . . . . . . . . . . 63.5 mt -66.24 -25.74 67.04 Favored 'General case' 0 C--O 1.204 -1.338 0 N-CA-C 113.342 0.868 . . . . 30.17 113.342 -178.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 847' ' ' ARG . . . . . 0.662 ' HG3' ' O ' ' B' ' 843' ' ' SER . 94.3 mtt180 -62.62 -40.99 98.7 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 121.025 0.44 . . . . 34.36 110.255 179.609 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -94.56 -23.6 17.6 Favored 'General case' 0 C--O 1.203 -1.392 0 N-CA-C 114.901 1.445 . . . . 39.93 114.901 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 849' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -133.5 82.5 1.99 Allowed 'General case' 0 C--O 1.2 -1.515 0 C-N-CA 122.476 0.311 . . . . 32.57 111.181 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 850' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -70.28 122.95 20.52 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 119.621 -0.831 . . . . 32.73 111.926 -177.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 851' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -126.74 118.3 24.42 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.856 -1.164 . . . . 36.43 107.856 170.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 852' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -57.62 -51.36 69.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.991 -0.549 . . . . 30.97 112.135 -173.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 853' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -61.52 -36.47 80.63 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.352 0.501 . . . . 37.36 112.352 -179.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 854' ' ' MET . . . . . . . . . . . . . 11.2 ttp -68.86 -44.49 73.26 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.987 -0.375 . . . . 37.85 109.987 178.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 855' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -57.89 -38.82 76.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 31.4 111.255 177.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 856' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.92 -48.5 81.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.013 -0.54 . . . . 37.76 111.687 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 857' ' ' GLU . . . . . 0.557 ' OE2' ' NH2' ' B' ' 817' ' ' ARG . 63.6 tt0 -62.54 -44.45 96.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 34.0 110.863 178.966 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 858' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -50.81 -52.53 40.28 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.94 0.896 . . . . 28.47 110.25 173.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 859' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -63.52 -44.97 92.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.955 -0.566 . . . . 29.88 112.385 -176.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 860' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.27 -47.3 77.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 31.33 111.858 -178.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 861' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.17 -35.23 79.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 28.52 111.712 -178.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 862' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.68 84.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.075 0.464 . . . . 26.59 110.94 179.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 863' ' ' LEU . . . . . . . . . . . . . 85.7 mt -79.87 -28.64 39.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.1 -0.5 . . . . 27.52 111.378 -177.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 864' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -70.31 -34.81 73.15 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.181 -0.608 . . . . 31.53 109.53 175.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 865' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -67.76 -48.98 64.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.325 -0.398 . . . . 26.01 111.814 175.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.32 82.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 33.42 112.089 -174.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 867' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -73.21 -6.4 45.64 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.205 -0.598 . . . . 44.64 110.541 -179.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 868' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -99.77 -11.32 20.92 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.458 -0.337 . . . . 30.06 111.334 175.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 869' ' ' GLY . . . . . . . . . . . . . . . 110.55 -7.72 30.16 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 114.574 0.59 . . . . 28.4 114.574 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 870' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -104.14 102.64 12.37 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.503 -0.925 . . . . 32.57 108.503 -179.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 871' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' B' 1001 ' ' HOH . 42.7 mtp85 -99.18 9.28 43.76 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 115.416 1.636 . . . . 33.23 115.416 -163.87 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 872' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -63.78 -44.11 94.36 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.299 -0.56 . . . . 31.28 111.523 -175.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 873' ' ' GLY . . . . . . . . . . . . . . . -61.02 -36.63 92.59 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 116.003 -0.544 . . . . 27.14 112.766 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 874' ' ' LEU . . . . . . . . . . . . . 49.3 tp -72.09 -37.42 69.58 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 122.905 -0.174 . . . . 29.06 110.76 179.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 875' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -61.3 -41.86 97.69 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 110.017 -0.364 . . . . 34.4 110.017 175.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 876' ' ' CYS . . . . . . . . . . . . . 78.4 m -60.85 -36.88 80.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.381 -0.372 . . . . 29.48 111.575 175.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 877' ' ' LEU . . . . . . . . . . . . . 44.3 tp -69.52 -39.64 77.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 27.09 110.956 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 878' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -68.38 -38.78 81.67 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-N 115.192 -0.913 . . . . 27.82 110.718 176.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 879' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -65.07 -40.95 95.43 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 107.152 -1.425 . . . . 34.13 107.152 177.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 880' ' ' TYR . . . . . 0.577 ' HB2' ' HB2' ' B' ' 843' ' ' SER . 7.9 t80 -64.68 -42.74 95.15 Favored 'General case' 0 C--O 1.207 -1.141 0 C-N-CA 119.681 -0.808 . . . . 34.91 111.283 178.587 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 881' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -61.9 -47.74 83.58 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 120.466 -0.494 . . . . 30.64 111.712 -177.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 23.0 t -67.52 -47.32 70.29 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 115.161 1.541 . . . . 32.09 115.161 -179.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 883' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -72.3 -41.24 66.82 Favored 'General case' 0 C--O 1.21 -1.015 0 N-CA-C 116.801 2.148 . . . . 38.03 116.801 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 884' ' ' GLY . . . . . . . . . . . . . . . -73.0 -47.66 23.59 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 124.226 0.917 . . . . 36.56 114.322 -178.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 85.7 mt -68.22 -20.75 64.86 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 122.68 -0.306 . . . . 36.92 110.597 -179.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 886' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -69.19 -43.54 73.97 Favored 'General case' 0 C--O 1.199 -1.572 0 N-CA-C 107.877 -1.157 . . . . 40.29 107.877 174.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 887' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -68.56 -47.24 67.34 Favored 'General case' 0 C--O 1.194 -1.823 0 CA-C-N 114.764 -1.107 . . . . 49.98 113.594 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 888' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -151.01 122.35 7.83 Favored 'General case' 0 C--O 1.195 -1.782 0 N-CA-C 108.587 -0.894 . . . . 48.53 108.587 176.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 889' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -82.06 134.26 35.33 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 112.234 0.457 . . . . 44.29 112.234 -175.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 890' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -134.06 125.14 27.43 Favored 'General case' 0 C--O 1.211 -0.971 0 N-CA-C 105.976 -1.861 . . . . 42.4 105.976 175.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 891' ' ' LEU . . . . . 0.456 ' HG ' ' HD3' ' B' ' 895' ' ' LYS . 10.9 tp -63.62 -41.27 98.3 Favored 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 117.288 2.329 . . . . 42.93 117.288 -177.671 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 892' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.24 -38.83 90.75 Favored 'General case' 0 C--O 1.21 -1.007 0 CA-C-O 122.133 0.968 . . . . 43.49 112.406 179.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 893' ' ' ILE . . . . . . . . . . . . . 18.5 mm -72.07 -42.65 67.7 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.966 0 C-N-CA 128.813 2.845 . . . . 40.41 109.288 -178.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 894' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -68.62 -34.97 76.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.08 -0.509 . . . . 46.58 111.015 178.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 895' ' ' LYS . . . . . 0.456 ' HD3' ' HG ' ' B' ' 891' ' ' LEU . 9.5 mtpt -66.97 -37.27 83.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 44.27 110.83 175.231 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 896' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -62.58 -41.25 98.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.05 -0.523 . . . . 33.58 110.671 171.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 897' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -57.35 -51.4 69.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.389 -0.823 . . . . 31.57 109.937 -179.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 898' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -60.87 -42.47 97.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 48.81 111.02 179.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 899' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -63.04 -50.49 70.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.979 -0.555 . . . . 49.93 112.268 -177.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 900' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -69.7 -33.31 72.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.229 -0.441 . . . . 34.3 111.817 -179.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 901' ' ' THR . . . . . . . . . . . . . 91.5 m -61.45 -43.63 98.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.766 0.317 . . . . 35.47 110.41 177.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 902' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.38 -45.71 95.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.223 -0.444 . . . . 34.02 110.275 177.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 903' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -62.45 -38.49 90.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.475 -0.329 . . . . 35.7 111.541 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 904' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -65.77 -44.66 85.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 35.53 110.995 178.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 905' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -67.51 -37.73 83.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 39.49 111.436 179.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -68.41 -19.62 64.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.814 0.34 . . . . 47.83 110.313 178.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 907' ' ' ALA . . . . . . . . . . . . . . . -88.74 9.39 24.6 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.15 -0.477 . . . . 35.32 111.147 -179.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 908' ' ' GLY . . . . . . . . . . . . . . . 79.28 25.39 59.37 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.408 -0.425 . . . . 33.84 112.739 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 909' ' ' GLN . . . . . 0.507 ' HG2' ' NH2' ' B' ' 871' ' ' ARG . 8.9 tp60 -117.16 160.36 21.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.62 0.248 . . . . 35.99 111.22 -177.012 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 56.7 mt -122.24 -10.97 8.46 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 114.149 1.166 . . . . 32.51 114.149 -176.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 911' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -60.92 -46.98 88.49 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.774 -0.37 . . . . 32.65 111.375 -174.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 912' ' ' GLY . . . . . . . . . . . . . . . -60.82 -49.8 74.56 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.407 -0.425 . . . . 31.99 112.921 178.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 913' ' ' LEU . . . . . . . . . . . . . 45.2 tp -58.32 -42.22 86.25 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.217 0.451 . . . . 33.44 112.217 -179.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.67 -39.47 91.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.564 -0.289 . . . . 42.23 110.881 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 915' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -70.17 -32.75 70.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.428 -0.351 . . . . 31.66 111.923 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 916' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -72.66 -43.34 63.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.92 0.39 . . . . 36.68 110.769 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 917' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -58.72 -43.1 90.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 45.72 110.606 175.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 918' ' ' ALA . . . . . . . . . . . . . . . -62.65 -35.96 81.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.814 -0.63 . . . . 33.64 110.541 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 919' ' ' PHE . . . . . 0.42 ' O ' ' HB2' ' B' ' 923' ' ' SER . 45.5 t80 -61.55 -50.65 71.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 37.44 110.735 178.862 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.38 -39.21 82.59 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.802 -0.359 . . . . 42.38 110.372 -179.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 921' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -62.57 -43.46 98.76 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.061 0.763 . . . . 52.49 113.061 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 922' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -98.86 -4.57 32.76 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 116.109 1.892 . . . . 46.93 116.109 -179.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 923' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' B' ' 919' ' ' PHE . 18.6 t -77.26 153.68 33.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.932 0.396 . . . . 52.37 111.884 -179.815 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 924' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 59.79 110.458 179.088 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 927' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.618 0 CA-C-O 122.239 1.018 . . . . 57.67 112.729 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 928' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.88 148.82 51.45 Favored 'General case' 0 C--O 1.195 -1.773 0 N-CA-C 116.738 2.125 . . . . 58.88 116.738 -177.054 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 929' ' ' ASP . . . . . . . . . . . . . . . -93.86 104.53 16.6 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-O 122.625 1.202 . . . . 54.85 108.845 177.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 930' ' ' ILE . . . . . 0.413 HG22 ' N ' ' B' ' 931' ' ' ASP . 11.9 mm -88.16 152.6 3.36 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.024 0 CA-C-N 114.342 -1.299 . . . . 53.47 109.511 -178.342 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 931' ' ' ASP . . . . . 0.413 ' N ' HG22 ' B' ' 930' ' ' ILE . 9.4 t70 -70.28 128.08 91.68 Favored Pre-proline 0 C--N 1.298 -1.657 0 CA-C-N 115.034 -0.984 . . . . 55.79 109.178 178.98 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 932' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -59.39 -34.42 97.51 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 121.859 1.706 . . . . 54.74 112.839 -178.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 933' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -74.17 -30.66 62.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.157 0.503 . . . . 54.75 109.689 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 934' ' ' LEU . . . . . 0.4 ' HB3' ' HB3' ' B' ' 931' ' ' ASP . 26.2 tp -77.84 -32.13 51.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.553 -0.749 . . . . 44.76 110.252 177.648 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 935' ' ' GLN . . . . . . . . . . . . . . . -62.18 -34.51 76.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 45.53 109.861 176.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 936' ' ' GLU . . . . . . . . . . . . . . . -72.5 -34.94 67.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 42.64 111.208 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 937' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -66.11 -40.84 91.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 46.59 111.219 179.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 938' ' ' LEU . . . . . . . . . . . . . 21.8 mt -64.27 -36.0 82.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 55.15 111.117 179.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 939' ' ' GLY . . . . . . . . . . . . . . . -53.44 -34.36 48.73 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 116.319 -0.4 . . . . 51.61 112.535 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 940' ' ' LYS . . . . . . . . . . . . . . . -99.8 37.75 1.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 54.62 111.224 179.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 941' ' ' PHE . . . . . . . . . . . . . 40.0 t80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 50.42 111.115 -179.996 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.512 -1.636 0 C1'-C2'-O2' 104.565 -2.012 . 0.0 '__' . 49.25 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.51 -8.069 0 C2'-C3'-O3' 106.25 -1.696 . 0.491 2h . 37.57 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.513 -7.848 0 O4'-C1'-C2' 101.597 -3.43 . 0.137 1b . 43.19 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.522 -7.109 1 C4'-C3'-O3' 95.081 -5.969 . 0.0 OUTLIER gamma 57.64 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ' U' . . . . . 0.692 " H4'" ' OP1' ' C' ' 6' ' ' ' C' . . . . . . . . 1 P--O3' 1.548 -4.905 0 C2'-C3'-O3' 117.667 2.381 OUTLIER-EPSILON 0.0 OUTLIER alpha 96.42 . . . . . . . . . . 4 4 . 1 . 001 ecloud build full ' C' C ' 6' ' ' ' C' . . . . . 0.692 ' OP1' " H4'" ' C' ' 5' ' ' ' U' . . . . . . . . 0 P--O3' 1.59 -1.402 0 C4'-C3'-C2' 105.309 2.609 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 106.31 . . . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ' C' . . . . . 0.549 ' OP2' " H4'" ' C' ' 6' ' ' ' C' . . . . . . . . 0 P--O3' 1.585 -1.874 0 C4'-C3'-C2' 104.318 1.618 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 113.5 . . . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.741 0 O5'-C5'-C4' 106.914 -2.347 . 0.01 6p . 63.75 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1001 ' ' HOH . . . . . 0.528 ' O ' ' HA ' ' B' ' 871' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 796' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 . . . . . 0 N--CA 1.441 -0.908 0 N-CA-C 114.425 1.269 . . . . 55.880000000000003 114.425 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 797' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -65.6 133.66 95.24 Favored Pre-proline 0 C--O 1.195 -1.764 0 N-CA-C 109.77 -0.455 . . . . 44.18 109.77 -179.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 798' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -51.09 -23.88 13.44 Favored 'Trans proline' 0 C--O 1.197 -1.56 0 C-N-CA 117.367 -1.289 . . . . 39.210000000000001 114.108 -177.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 799' ' ' SER . . . . . . . . . . . . . 8.3 p -72.49 -13.44 61.43 Favored 'General case' 0 C--O 1.193 -1.874 0 N-CA-C 113.108 0.781 . . . . 40.829999999999998 113.108 -178.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 800' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -116.4 -37.1 3.82 Favored 'General case' 0 C--O 1.175 -2.816 0 CA-C-N 116.441 -0.345 . . . . 40.25 110.291 179.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 801' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -62.73 -33.59 75.45 Favored 'General case' 0 C--O 1.197 -1.661 0 C-N-CA 123.406 0.682 . . . . 49.0 111.912 178.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 802' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' B' ' 808' ' ' PHE . 23.0 mt -79.03 -0.86 32.96 Favored 'General case' 0 C--O 1.186 -2.279 0 CA-C-N 116.432 -0.349 . . . . 36.109999999999999 110.865 -179.885 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 803' ' ' LEU . . . . . . . . . . . . . 65.9 mt -101.03 -9.41 21.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.642 0.258 . . . . 40.060000000000002 111.414 178.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 804' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -68.74 157.69 35.82 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.372 -0.377 . . . . 49.909999999999997 111.04 178.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 805' ' ' GLU . . . . . . . . . . . . . . . -39.29 -50.84 2.02 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 114.88 1.437 . . . . 54.68 114.88 -173.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 806' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -129.06 32.72 4.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.813 0.339 . . . . 59.979999999999997 110.838 179.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 807' ' ' GLY . . . . . . . . . . . . . . . -84.69 -10.93 78.32 Favored Glycine 0 C--N 1.331 0.274 0 N-CA-C 116.22 1.248 . . . . 50.009999999999998 116.22 -175.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 808' ' ' PHE . . . . . 0.495 ' HA ' HD23 ' B' ' 802' ' ' LEU . 51.6 t80 -84.35 121.47 27.58 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.832 0.679 . . . . 41.170000000000002 112.832 -176.015 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 809' ' ' THR . . . . . . . . . . . . . 46.7 p -127.27 149.29 50.08 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.075 -0.713 . . . . 37.25 109.075 166.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 810' ' ' GLN . . . . . . . . . . . . . . . -59.18 -40.92 87.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.389 -0.369 . . . . 35.909999999999997 111.614 -179.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 811' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -63.42 -47.18 82.98 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.683 0.623 . . . . 34.799999999999997 112.683 -176.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 812' ' ' VAL . . . . . . . . . . . . . 28.0 t -66.18 -44.03 91.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 38.200000000000003 111.459 -177.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 813' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -61.7 -47.85 83.43 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.444 0.535 . . . . 32.990000000000002 112.444 -179.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 814' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -60.42 -44.67 95.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.431 -0.35 . . . . 34.130000000000003 111.79 -179.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 815' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -59.72 -43.47 94.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.426 0.631 . . . . 35.759999999999998 110.628 176.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 816' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -72.77 -37.85 67.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.157 -0.928 . . . . 33.090000000000003 112.067 -178.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 817' ' ' ARG . . . . . 0.557 ' NH2' ' OE2' ' B' ' 857' ' ' GLU . 59.1 ttt-85 -64.53 -38.4 90.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.521 -0.309 . . . . 33.159999999999997 111.052 175.826 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 818' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -64.15 -43.5 95.03 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 113.667 0.988 . . . . 32.280000000000001 113.667 178.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 819' ' ' ARG . . . . . . . . . . . . . . . -63.29 -40.71 98.13 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 112.742 0.645 . . . . 30.510000000000002 112.742 179.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 820' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' B' ' 834' ' ' GLU . 80.1 m -65.51 -43.8 88.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.168 -0.469 . . . . 30.359999999999999 111.338 179.774 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 821' ' ' LEU . . . . . . . . . . . . . 53.2 mt -65.11 -41.54 94.83 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-N 116.032 -0.531 . . . . 31.449999999999999 111.128 179.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 822' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -63.89 -42.17 97.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 34.369999999999997 111.651 179.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 823' ' ' GLU . . . . . 0.947 ' OE1' ' OG ' ' B' ' 832' ' ' SER . 15.4 tt0 -64.31 -40.41 95.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.319 -0.401 . . . . 33.520000000000003 110.555 179.396 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 824' ' ' ARG . . . . . 0.857 ' HD2' ' HG2' ' B' ' 835' ' ' MET . 69.6 ttt-85 -62.82 -42.6 99.79 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.192 -0.67 . . . . 32.350000000000001 109.192 179.403 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 825' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -64.08 -44.23 93.0 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.749 0.309 . . . . 43.25 110.851 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 826' ' ' ARG . . . . . . . . . . . . . 34.8 ttp-105 -66.57 -45.27 79.86 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 115.998 1.851 . . . . 42.549999999999997 115.998 -179.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 827' ' ' LEU . . . . . . . . . . . . . 39.9 mt -98.46 -4.17 35.1 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 115.606 1.706 . . . . 36.880000000000003 115.606 -178.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 828' ' ' GLY . . . . . . . . . . . . . . . 86.92 170.31 46.7 Favored Glycine 0 C--O 1.223 -0.54 0 N-CA-C 114.642 0.617 . . . . 32.549999999999997 114.642 -179.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 829' ' ' ILE . . . . . . . . . . . . . 92.6 mt -68.69 136.41 26.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 113.518 0.933 . . . . 36.149999999999999 113.518 -179.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 830' ' ' GLY . . . . . . . . . . . . . . . 78.5 3.23 86.21 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.515 -0.766 . . . . 37.159999999999997 113.948 179.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 831' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -114.49 9.36 16.7 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 115.942 1.83 . . . . 41.340000000000003 115.942 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 832' ' ' SER . . . . . 0.947 ' OG ' ' OE1' ' B' ' 823' ' ' GLU . 29.9 t -111.2 121.93 46.57 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.406 0.891 . . . . 32.719999999999999 113.406 -179.196 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 833' ' ' GLN . . . . . . . . . . . . . . . -64.62 -39.54 93.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.685 -0.689 . . . . 29.52 110.333 178.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 834' ' ' GLU . . . . . 0.416 ' HB3' ' SG ' ' B' ' 820' ' ' CYS . 26.5 mm-40 -65.38 -42.6 92.5 Favored 'General case' 0 C--O 1.269 2.123 0 N-CA-C 117.871 2.545 . . . . 39.039999999999999 117.871 179.69 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 835' ' ' MET . . . . . 0.857 ' HG2' ' HD2' ' B' ' 824' ' ' ARG . 6.8 tpt -56.43 -32.16 64.61 Favored 'General case' 0 N--CA 1.411 -2.406 0 CA-C-N 110.422 -3.081 . . . . 37.969999999999999 108.194 179.407 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 836' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -72.67 -35.14 67.62 Favored 'General case' 0 C--O 1.195 -1.786 0 N-CA-C 106.853 -1.536 . . . . 31.98 106.853 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 837' ' ' THR . . . . . . . . . . . . . 42.2 p -69.76 -33.82 72.94 Favored 'General case' 0 C--O 1.185 -2.308 0 CA-C-O 121.776 0.798 . . . . 32.969999999999999 110.168 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 838' ' ' LEU . . . . . . . . . . . . . 55.6 tp -73.65 -35.0 65.2 Favored 'General case' 0 C--O 1.183 -2.42 0 CA-C-N 115.133 -0.94 . . . . 30.579999999999998 110.588 -178.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 839' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -66.96 -47.1 72.64 Favored 'General case' 0 C--O 1.175 -2.855 0 N-CA-C 107.482 -1.303 . . . . 29.460000000000001 107.482 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 840' ' ' ARG . . . . . . . . . . . . . 55.8 ttt-85 -64.14 -41.34 97.24 Favored 'General case' 0 C--O 1.195 -1.806 0 CA-C-O 119.4 -0.333 . . . . 38.850000000000001 111.346 178.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 841' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -59.63 -40.96 89.34 Favored 'General case' 0 C--O 1.186 -2.272 0 N-CA-C 108.824 -0.806 . . . . 34.68 108.824 179.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 842' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -62.19 -49.05 77.32 Favored 'General case' 0 C--O 1.19 -2.043 0 N-CA-C 115.878 1.807 . . . . 32.859999999999999 115.878 -177.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 843' ' ' SER . . . . . 0.662 ' O ' ' HG3' ' B' ' 847' ' ' ARG 0.361 79.9 p -62.85 -28.31 69.93 Favored 'General case' 0 C--O 1.184 -2.359 0 N-CA-C 117.465 2.394 . . . . 31.010000000000002 117.465 -179.298 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 844' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -86.92 -43.99 11.99 Favored 'General case' 0 C--O 1.185 -2.337 0 CA-C-O 121.043 0.449 . . . . 32.159999999999997 111.947 178.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 845' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -63.31 -42.44 99.03 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 113.56 0.948 . . . . 34.310000000000002 113.56 -176.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 846' ' ' LEU . . . . . . . . . . . . . 63.5 mt -66.24 -25.74 67.04 Favored 'General case' 0 C--O 1.204 -1.338 0 N-CA-C 113.342 0.868 . . . . 30.170000000000002 113.342 -178.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 847' ' ' ARG . . . . . 0.662 ' HG3' ' O ' ' B' ' 843' ' ' SER . 94.3 mtt180 -62.62 -40.99 98.7 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 121.025 0.44 . . . . 34.359999999999999 110.255 179.609 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -94.56 -23.6 17.6 Favored 'General case' 0 C--O 1.203 -1.392 0 N-CA-C 114.901 1.445 . . . . 39.93 114.901 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 849' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -133.5 82.5 1.99 Allowed 'General case' 0 C--O 1.2 -1.515 0 C-N-CA 122.476 0.311 . . . . 32.57 111.181 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 850' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -70.28 122.95 20.52 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 119.621 -0.831 . . . . 32.729999999999997 111.926 -177.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 851' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -126.74 118.3 24.42 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.856 -1.164 . . . . 36.43 107.856 170.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 852' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -57.62 -51.36 69.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.991 -0.549 . . . . 30.969999999999999 112.135 -173.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 853' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -61.52 -36.47 80.63 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.352 0.501 . . . . 37.359999999999999 112.352 -179.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 854' ' ' MET . . . . . . . . . . . . . 11.2 ttp -68.86 -44.49 73.26 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.987 -0.375 . . . . 37.850000000000001 109.987 178.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 855' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -57.89 -38.82 76.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 31.399999999999999 111.255 177.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 856' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.92 -48.5 81.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.013 -0.54 . . . . 37.759999999999998 111.687 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 857' ' ' GLU . . . . . 0.557 ' OE2' ' NH2' ' B' ' 817' ' ' ARG . 63.6 tt0 -62.54 -44.45 96.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 34.0 110.863 178.966 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 858' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -50.81 -52.53 40.28 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.94 0.896 . . . . 28.469999999999999 110.25 173.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 859' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -63.52 -44.97 92.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.955 -0.566 . . . . 29.879999999999999 112.385 -176.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 860' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.27 -47.3 77.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 31.329999999999998 111.858 -178.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 861' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.17 -35.23 79.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 28.52 111.712 -178.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 862' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.68 84.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.075 0.464 . . . . 26.59 110.94 179.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 863' ' ' LEU . . . . . . . . . . . . . 85.7 mt -79.87 -28.64 39.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.1 -0.5 . . . . 27.52 111.378 -177.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 864' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -70.31 -34.81 73.15 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.181 -0.608 . . . . 31.530000000000001 109.53 175.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 865' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -67.76 -48.98 64.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.325 -0.398 . . . . 26.010000000000002 111.814 175.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.66 -36.32 82.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 33.420000000000002 112.089 -174.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 867' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -73.21 -6.4 45.64 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.205 -0.598 . . . . 44.640000000000001 110.541 -179.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 868' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -99.77 -11.32 20.92 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.458 -0.337 . . . . 30.059999999999999 111.334 175.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 869' ' ' GLY . . . . . . . . . . . . . . . 110.55 -7.72 30.16 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 114.574 0.59 . . . . 28.399999999999999 114.574 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 870' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -104.14 102.64 12.37 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.503 -0.925 . . . . 32.57 108.503 -179.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 871' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' B' 1001 ' ' HOH . 42.7 mtp85 -99.18 9.28 43.76 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 115.416 1.636 . . . . 33.229999999999997 115.416 -163.87 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 872' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -63.78 -44.11 94.36 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.299 -0.56 . . . . 31.280000000000001 111.523 -175.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 873' ' ' GLY . . . . . . . . . . . . . . . -61.02 -36.63 92.59 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 116.003 -0.544 . . . . 27.140000000000001 112.766 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 874' ' ' LEU . . . . . . . . . . . . . 49.3 tp -72.09 -37.42 69.58 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 122.905 -0.174 . . . . 29.059999999999999 110.76 179.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 875' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -61.3 -41.86 97.69 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 110.017 -0.364 . . . . 34.399999999999999 110.017 175.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 876' ' ' CYS . . . . . . . . . . . . . 78.4 m -60.85 -36.88 80.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.381 -0.372 . . . . 29.48 111.575 175.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 877' ' ' LEU . . . . . . . . . . . . . 44.3 tp -69.52 -39.64 77.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 27.09 110.956 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 878' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -68.38 -38.78 81.67 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-N 115.192 -0.913 . . . . 27.82 110.718 176.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 879' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -65.07 -40.95 95.43 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 107.152 -1.425 . . . . 34.130000000000003 107.152 177.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 880' ' ' TYR . . . . . 0.577 ' HB2' ' HB2' ' B' ' 843' ' ' SER . 7.9 t80 -64.68 -42.74 95.15 Favored 'General case' 0 C--O 1.207 -1.141 0 C-N-CA 119.681 -0.808 . . . . 34.909999999999997 111.283 178.587 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 881' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -61.9 -47.74 83.58 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 120.466 -0.494 . . . . 30.640000000000001 111.712 -177.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 23.0 t -67.52 -47.32 70.29 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 115.161 1.541 . . . . 32.090000000000003 115.161 -179.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 883' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -72.3 -41.24 66.82 Favored 'General case' 0 C--O 1.21 -1.015 0 N-CA-C 116.801 2.148 . . . . 38.030000000000001 116.801 178.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 884' ' ' GLY . . . . . . . . . . . . . . . -73.0 -47.66 23.59 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 124.226 0.917 . . . . 36.560000000000002 114.322 -178.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 85.7 mt -68.22 -20.75 64.86 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 122.68 -0.306 . . . . 36.920000000000002 110.597 -179.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 886' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -69.19 -43.54 73.97 Favored 'General case' 0 C--O 1.199 -1.572 0 N-CA-C 107.877 -1.157 . . . . 40.289999999999999 107.877 174.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 887' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -68.56 -47.24 67.34 Favored 'General case' 0 C--O 1.194 -1.823 0 CA-C-N 114.764 -1.107 . . . . 49.979999999999997 113.594 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 888' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -151.01 122.35 7.83 Favored 'General case' 0 C--O 1.195 -1.782 0 N-CA-C 108.587 -0.894 . . . . 48.530000000000001 108.587 176.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 889' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -82.06 134.26 35.33 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 112.234 0.457 . . . . 44.289999999999999 112.234 -175.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 890' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -134.06 125.14 27.43 Favored 'General case' 0 C--O 1.211 -0.971 0 N-CA-C 105.976 -1.861 . . . . 42.399999999999999 105.976 175.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 891' ' ' LEU . . . . . 0.456 ' HG ' ' HD3' ' B' ' 895' ' ' LYS . 10.9 tp -63.62 -41.27 98.3 Favored 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 117.288 2.329 . . . . 42.93 117.288 -177.671 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 892' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.24 -38.83 90.75 Favored 'General case' 0 C--O 1.21 -1.007 0 CA-C-O 122.133 0.968 . . . . 43.490000000000002 112.406 179.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 893' ' ' ILE . . . . . . . . . . . . . 18.5 mm -72.07 -42.65 67.7 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.966 0 C-N-CA 128.813 2.845 . . . . 40.409999999999997 109.288 -178.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 894' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -68.62 -34.97 76.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.08 -0.509 . . . . 46.579999999999998 111.015 178.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 895' ' ' LYS . . . . . 0.456 ' HD3' ' HG ' ' B' ' 891' ' ' LEU . 9.5 mtpt -66.97 -37.27 83.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 44.270000000000003 110.83 175.231 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 896' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -62.58 -41.25 98.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.05 -0.523 . . . . 33.579999999999998 110.671 171.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 897' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -57.35 -51.4 69.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.389 -0.823 . . . . 31.57 109.937 -179.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 898' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -60.87 -42.47 97.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 48.810000000000002 111.02 179.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 899' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -63.04 -50.49 70.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.979 -0.555 . . . . 49.93 112.268 -177.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 900' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -69.7 -33.31 72.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.229 -0.441 . . . . 34.299999999999997 111.817 -179.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 901' ' ' THR . . . . . . . . . . . . . 91.5 m -61.45 -43.63 98.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.766 0.317 . . . . 35.469999999999999 110.41 177.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 902' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.38 -45.71 95.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.223 -0.444 . . . . 34.020000000000003 110.275 177.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 903' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -62.45 -38.49 90.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.475 -0.329 . . . . 35.700000000000003 111.541 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 904' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -65.77 -44.66 85.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 35.530000000000001 110.995 178.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 905' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -67.51 -37.73 83.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 39.490000000000002 111.436 179.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 906' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -68.41 -19.62 64.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.814 0.34 . . . . 47.829999999999998 110.313 178.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 907' ' ' ALA . . . . . . . . . . . . . . . -88.74 9.39 24.6 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.15 -0.477 . . . . 35.32 111.147 -179.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 908' ' ' GLY . . . . . . . . . . . . . . . 79.28 25.39 59.37 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.408 -0.425 . . . . 33.840000000000003 112.739 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 909' ' ' GLN . . . . . 0.507 ' HG2' ' NH2' ' B' ' 871' ' ' ARG . 8.9 tp60 -117.16 160.36 21.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.62 0.248 . . . . 35.990000000000002 111.22 -177.012 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 910' ' ' LEU . . . . . . . . . . . . . 56.7 mt -122.24 -10.97 8.46 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 114.149 1.166 . . . . 32.509999999999998 114.149 -176.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 911' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -60.92 -46.98 88.49 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.774 -0.37 . . . . 32.649999999999999 111.375 -174.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 912' ' ' GLY . . . . . . . . . . . . . . . -60.82 -49.8 74.56 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.407 -0.425 . . . . 31.989999999999998 112.921 178.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 913' ' ' LEU . . . . . . . . . . . . . 45.2 tp -58.32 -42.22 86.25 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.217 0.451 . . . . 33.439999999999998 112.217 -179.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.67 -39.47 91.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.564 -0.289 . . . . 42.229999999999997 110.881 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 915' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -70.17 -32.75 70.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.428 -0.351 . . . . 31.66 111.923 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 916' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -72.66 -43.34 63.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.92 0.39 . . . . 36.68 110.769 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 917' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -58.72 -43.1 90.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 45.719999999999999 110.606 175.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 918' ' ' ALA . . . . . . . . . . . . . . . -62.65 -35.96 81.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.814 -0.63 . . . . 33.640000000000001 110.541 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 919' ' ' PHE . . . . . 0.42 ' O ' ' HB2' ' B' ' 923' ' ' SER . 45.5 t80 -61.55 -50.65 71.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 37.439999999999998 110.735 178.862 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.38 -39.21 82.59 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.802 -0.359 . . . . 42.380000000000003 110.372 -179.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 921' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -62.57 -43.46 98.76 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.061 0.763 . . . . 52.490000000000002 113.061 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 922' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -98.86 -4.57 32.76 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 116.109 1.892 . . . . 46.93 116.109 -179.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 923' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' B' ' 919' ' ' PHE . 18.6 t -77.26 153.68 33.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.932 0.396 . . . . 52.369999999999997 111.884 -179.815 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 924' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 59.789999999999999 110.458 179.088 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 927' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.618 0 CA-C-O 122.239 1.018 . . . . 57.670000000000002 112.729 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 928' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.88 148.82 51.45 Favored 'General case' 0 C--O 1.195 -1.773 0 N-CA-C 116.738 2.125 . . . . 58.880000000000003 116.738 -177.054 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 929' ' ' ASP . . . . . . . . . . . . . . . -93.86 104.53 16.6 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-O 122.625 1.202 . . . . 54.850000000000001 108.845 177.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 930' ' ' ILE . . . . . 0.413 HG22 ' N ' ' B' ' 931' ' ' ASP . 11.9 mm -88.16 152.6 3.36 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.024 0 CA-C-N 114.342 -1.299 . . . . 53.469999999999999 109.511 -178.342 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 931' ' ' ASP . . . . . 0.413 ' N ' HG22 ' B' ' 930' ' ' ILE . 9.4 t70 -70.28 128.08 91.68 Favored Pre-proline 0 C--N 1.298 -1.657 0 CA-C-N 115.034 -0.984 . . . . 55.789999999999999 109.178 178.98 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 932' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -59.39 -34.42 97.51 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 121.859 1.706 . . . . 54.740000000000002 112.839 -178.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 933' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -74.17 -30.66 62.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.157 0.503 . . . . 54.75 109.689 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 934' ' ' LEU . . . . . 0.4 ' HB3' ' HB3' ' B' ' 931' ' ' ASP . 26.2 tp -77.84 -32.13 51.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.553 -0.749 . . . . 44.759999999999998 110.252 177.648 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 935' ' ' GLN . . . . . . . . . . . . . . . -62.18 -34.51 76.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 45.530000000000001 109.861 176.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 936' ' ' GLU . . . . . . . . . . . . . . . -72.5 -34.94 67.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 42.640000000000001 111.208 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 937' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -66.11 -40.84 91.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 46.590000000000003 111.219 179.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 938' ' ' LEU . . . . . . . . . . . . . 21.8 mt -64.27 -36.0 82.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 55.149999999999999 111.117 179.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 939' ' ' GLY . . . . . . . . . . . . . . . -53.44 -34.36 48.73 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 116.319 -0.4 . . . . 51.609999999999999 112.535 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 940' ' ' LYS . . . . . . . . . . . . . . . -99.8 37.75 1.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 54.619999999999997 111.224 179.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 941' ' ' PHE . . . . . . . . . . . . . 40.0 t80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 50.420000000000002 111.115 -179.996 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.512 -1.636 0 C1'-C2'-O2' 104.565 -2.012 . 0.0 '__' . 49.25 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.51 -8.069 0 C2'-C3'-O3' 106.25 -1.696 . 0.491 2h . 37.57 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.513 -7.848 0 O4'-C1'-C2' 101.597 -3.43 . 0.137 1b . 43.189999999999998 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.522 -7.109 1 C4'-C3'-O3' 95.081 -5.969 . 0.0 OUTLIER gamma 57.640000000000001 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ' U' . . . . . 0.692 " H4'" ' OP1' ' C' ' 6' ' ' ' C' . . . . . . . . 1 P--O3' 1.548 -4.905 0 C2'-C3'-O3' 117.667 2.381 OUTLIER-EPSILON 0.0 OUTLIER alpha 96.420000000000002 . . . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' ' C' . . . . . 0.692 ' OP1' " H4'" ' C' ' 5' ' ' ' U' . . . . . . . . 0 P--O3' 1.59 -1.402 0 C4'-C3'-C2' 105.309 2.609 OUTLIER-EPSILON 0.0 OUTLIER epsilon-1 106.31 . . . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ' C' . . . . . 0.549 ' OP2' " H4'" ' C' ' 6' ' ' ' C' . . . . . . . . 0 P--O3' 1.585 -1.874 0 C4'-C3'-C2' 104.318 1.618 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 113.5 . . . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.741 0 O5'-C5'-C4' 106.914 -2.347 . 0.01 6p . 63.75 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1001 ' ' HOH . . . . . 0.528 ' O ' ' HA ' ' B' ' 871' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_