==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN/INHIBITOR 27-JUL-12 3VVS . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR Y.TANAKA,R.ISHITANI,O.NUREKI . 454 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18069.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 380 83.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 10 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 322 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 2 1 0 1 0 1 1 1 0 1 0 0 1 0 0 0 1 1 0 1 0 1 0 4 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 4 A K 0 0 124 0, 0.0 2,-0.1 0, 0.0 220,-0.0 0.000 360.0 360.0 360.0 127.9 -56.1 28.5 25.0 2 5 A T - 0 0 65 1,-0.0 2,-0.3 0, 0.0 3,-0.0 0.583 360.0-174.9-120.5-168.2 -54.5 26.2 24.8 3 6 A T > - 0 0 41 -2,-0.1 4,-2.1 157,-0.1 5,-0.2 -0.778 41.0-109.1-120.1 167.2 -52.5 24.5 22.1 4 7 A K H > S+ 0 0 103 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.829 118.9 53.2 -64.0 -33.1 -50.6 21.2 21.9 5 8 A G H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.865 107.7 49.6 -70.9 -38.0 -47.3 23.0 21.8 6 9 A V H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.901 111.4 49.0 -66.4 -41.9 -48.1 25.1 24.9 7 10 A Q H < S+ 0 0 119 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.843 111.2 52.0 -64.1 -33.2 -49.1 21.9 26.7 8 11 A L H >< S+ 0 0 21 -4,-1.5 3,-0.5 2,-0.2 -2,-0.2 0.902 110.0 46.9 -69.0 -43.1 -45.8 20.4 25.5 9 12 A L H 3< S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.810 116.7 44.7 -67.2 -31.1 -43.8 23.4 26.8 10 13 A R T 3< S+ 0 0 45 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.454 110.1 65.9 -94.2 -2.6 -45.6 23.2 30.1 11 14 A G S < S- 0 0 32 -3,-0.5 -3,-0.1 -4,-0.5 5,-0.0 0.187 104.3 -19.7 -95.7-146.0 -45.3 19.5 30.5 12 15 A D > - 0 0 88 1,-0.1 4,-2.1 2,-0.0 -1,-0.3 -0.455 52.9-144.7 -65.2 128.3 -42.4 17.0 30.9 13 16 A P H > S+ 0 0 15 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.878 100.5 51.2 -62.0 -40.7 -39.1 18.6 29.8 14 17 A K H > S+ 0 0 98 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.878 112.9 45.8 -64.3 -39.0 -37.8 15.3 28.5 15 18 A K H > S+ 0 0 120 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.832 112.7 51.8 -71.0 -33.3 -41.0 14.9 26.5 16 19 A A H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 5,-0.3 0.913 107.4 50.9 -69.8 -44.6 -40.8 18.5 25.3 17 20 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.916 113.7 44.5 -59.4 -45.6 -37.2 18.2 24.1 18 21 A V H X S+ 0 0 44 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.934 114.3 46.6 -66.9 -48.3 -37.9 15.1 22.0 19 22 A R H < S+ 0 0 78 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.632 120.4 40.1 -73.2 -13.8 -41.1 16.2 20.4 20 23 A L H X S+ 0 0 6 -4,-1.2 4,-1.1 -3,-0.2 -2,-0.2 0.799 113.3 49.1-101.1 -39.1 -39.7 19.6 19.5 21 24 A S H X S+ 0 0 2 -4,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.871 103.1 61.6 -71.8 -38.2 -36.2 18.8 18.4 22 25 A I H X S+ 0 0 80 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.2 0.916 105.5 44.8 -57.6 -48.4 -37.2 16.0 16.0 23 26 A P H > S+ 0 0 16 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.858 115.0 51.2 -63.4 -31.1 -39.3 18.3 13.7 24 27 A M H X S+ 0 0 4 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.882 107.2 50.7 -72.3 -39.8 -36.5 20.9 13.8 25 28 A M H X S+ 0 0 32 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.840 112.6 48.4 -65.7 -33.3 -33.8 18.4 12.8 26 29 A I H X S+ 0 0 81 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.921 110.1 50.3 -71.6 -45.9 -36.0 17.3 9.9 27 30 A G H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.871 113.5 45.7 -60.1 -39.3 -36.7 20.8 8.7 28 31 A M H X S+ 0 0 13 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.788 108.9 56.4 -75.7 -28.7 -33.0 21.7 8.8 29 32 A S H X S+ 0 0 50 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.887 105.9 49.6 -69.9 -40.0 -32.0 18.5 7.0 30 33 A V H X S+ 0 0 28 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.866 109.8 52.8 -65.3 -35.6 -34.3 19.2 4.1 31 34 A Q H X S+ 0 0 0 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.894 109.5 48.0 -64.9 -41.0 -32.7 22.7 4.0 32 35 A T H X S+ 0 0 13 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.887 106.3 58.1 -65.2 -39.1 -29.3 21.0 3.9 33 36 A L H X S+ 0 0 98 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.825 103.6 53.6 -59.9 -33.3 -30.6 18.7 1.1 34 37 A Y H X S+ 0 0 6 -4,-1.4 4,-3.5 2,-0.2 5,-0.3 0.932 106.7 50.3 -65.8 -47.5 -31.4 21.8 -0.9 35 38 A N H X S+ 0 0 7 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.856 110.3 50.3 -59.7 -37.7 -27.8 23.2 -0.6 36 39 A L H < S+ 0 0 52 -4,-2.0 4,-0.3 2,-0.2 -1,-0.2 0.882 115.1 43.7 -67.4 -38.8 -26.4 19.9 -1.7 37 40 A A H >X S+ 0 0 22 -4,-1.7 4,-1.7 -5,-0.2 3,-1.4 0.934 114.0 48.3 -71.8 -47.9 -28.7 19.8 -4.7 38 41 A D H 3X S+ 0 0 24 -4,-3.5 4,-2.0 1,-0.3 5,-0.3 0.807 104.8 61.8 -62.7 -30.1 -28.2 23.5 -5.7 39 42 A G H 3X S+ 0 0 43 -4,-1.6 4,-0.5 -5,-0.3 -1,-0.3 0.675 105.8 47.7 -69.4 -17.3 -24.5 22.9 -5.3 40 43 A I H <> S+ 0 0 113 -3,-1.4 4,-0.8 -4,-0.3 -2,-0.2 0.881 110.7 46.6 -89.1 -46.3 -24.7 20.4 -8.2 41 44 A W H >< S+ 0 0 88 -4,-1.7 3,-0.7 1,-0.2 -2,-0.2 0.922 116.2 45.3 -62.1 -46.0 -26.8 22.4 -10.7 42 45 A V H >< S+ 0 0 6 -4,-2.0 3,-1.9 1,-0.2 4,-0.4 0.848 102.5 65.5 -68.2 -35.0 -24.7 25.5 -10.3 43 46 A S H 3< S+ 0 0 69 -4,-0.5 3,-0.4 1,-0.3 -1,-0.2 0.749 99.9 53.3 -60.7 -24.8 -21.4 23.6 -10.5 44 47 A G T << S+ 0 0 53 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.1 0.048 91.6 76.6 -99.4 25.0 -22.2 22.7 -14.1 45 48 A L S < S- 0 0 48 -3,-1.9 -1,-0.2 1,-0.3 3,-0.2 0.596 102.4-100.8-106.8 -18.0 -22.8 26.3 -15.2 46 49 A G > - 0 0 26 -3,-0.4 4,-1.4 -4,-0.4 3,-0.4 -0.495 36.0 -70.4 120.1 170.6 -19.2 27.4 -15.4 47 50 A P H > S+ 0 0 113 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.747 124.8 60.5 -70.6 -25.5 -16.6 29.4 -13.5 48 51 A E H > S+ 0 0 50 2,-0.2 4,-0.8 1,-0.2 -2,-0.1 0.798 105.2 47.7 -72.9 -29.6 -18.4 32.7 -14.2 49 52 A S H > S+ 0 0 16 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.865 111.5 48.7 -78.7 -38.8 -21.5 31.4 -12.4 50 53 A L H X S+ 0 0 90 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.837 109.5 53.8 -68.2 -33.7 -19.7 30.1 -9.3 51 54 A A H X S+ 0 0 49 -4,-1.5 4,-0.8 1,-0.2 -1,-0.2 0.790 106.1 53.3 -71.1 -28.5 -17.8 33.4 -9.1 52 55 A A H X S+ 0 0 0 -4,-0.8 4,-1.0 2,-0.2 -1,-0.2 0.860 109.1 47.9 -73.7 -37.3 -21.1 35.3 -9.1 53 56 A V H X S+ 0 0 37 -4,-1.5 4,-1.7 1,-0.2 3,-0.4 0.894 107.8 55.9 -68.9 -40.9 -22.4 33.3 -6.2 54 57 A G H < S+ 0 0 39 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.751 102.7 56.3 -64.4 -26.1 -19.2 33.7 -4.2 55 58 A L H < S+ 0 0 19 -4,-0.8 4,-0.3 1,-0.2 -1,-0.2 0.850 116.6 33.0 -75.2 -35.7 -19.5 37.5 -4.4 56 59 A F H X S+ 0 0 1 -4,-1.0 4,-2.8 -3,-0.4 3,-0.2 0.595 97.3 88.7 -96.0 -14.2 -22.9 37.7 -2.8 57 60 A F H X S+ 0 0 45 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.869 87.3 48.1 -53.8 -45.6 -22.5 34.7 -0.5 58 61 A P H > S+ 0 0 68 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.880 114.6 47.9 -64.1 -34.0 -21.0 36.7 2.4 59 62 A V H > S+ 0 0 19 -4,-0.3 4,-1.9 -3,-0.2 -2,-0.2 0.874 109.8 53.2 -69.2 -38.6 -23.9 39.2 2.0 60 63 A F H X S+ 0 0 23 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.926 108.6 48.4 -61.9 -47.1 -26.4 36.3 1.9 61 64 A M H X S+ 0 0 16 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.806 108.0 57.3 -63.2 -30.3 -25.0 34.9 5.2 62 65 A G H X S+ 0 0 35 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.899 107.6 45.9 -66.2 -42.3 -25.3 38.4 6.6 63 66 A I H X S+ 0 0 3 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.904 114.5 48.5 -65.6 -42.4 -29.0 38.6 5.8 64 67 A I H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.896 108.1 54.1 -65.4 -42.0 -29.5 35.1 7.2 65 68 A A H X S+ 0 0 9 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.875 112.8 43.7 -60.0 -39.3 -27.6 35.9 10.4 66 69 A L H X S+ 0 0 64 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.862 116.2 47.3 -74.1 -37.5 -29.9 38.9 11.0 67 70 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.930 115.3 43.4 -69.6 -47.5 -33.0 37.0 10.1 68 71 A A H X S+ 0 0 15 -4,-3.3 4,-2.4 2,-0.2 5,-0.2 0.816 112.1 55.7 -68.9 -31.3 -32.2 34.0 12.2 69 72 A G H X S+ 0 0 0 -4,-1.3 4,-2.0 -5,-0.3 -1,-0.2 0.933 108.4 45.5 -65.9 -47.7 -31.1 36.2 15.1 70 73 A L H X S+ 0 0 11 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.825 112.8 55.3 -63.6 -31.3 -34.4 38.1 15.2 71 74 A G H X S+ 0 0 2 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.931 108.9 42.9 -67.0 -48.6 -36.1 34.7 15.0 72 75 A V H X S+ 0 0 14 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.832 112.5 54.0 -70.9 -31.7 -34.4 33.1 18.0 73 76 A G H X S+ 0 0 0 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.822 111.7 47.3 -68.0 -31.2 -34.8 36.3 20.0 74 77 A T H X S+ 0 0 0 -4,-1.2 4,-2.4 -5,-0.2 -2,-0.2 0.937 112.9 46.1 -72.4 -50.5 -38.5 36.1 19.2 75 78 A S H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.879 114.0 49.4 -62.0 -40.3 -38.9 32.4 20.0 76 79 A S H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.926 112.4 46.6 -64.7 -46.8 -37.0 32.8 23.3 77 80 A A H X S+ 0 0 0 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.885 114.3 47.4 -65.0 -40.5 -39.0 35.9 24.4 78 81 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.904 109.4 53.8 -67.5 -41.6 -42.3 34.2 23.5 79 82 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.880 108.3 49.7 -60.7 -40.3 -41.4 30.9 25.3 80 83 A R H X S+ 0 0 24 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.864 110.1 50.4 -68.1 -37.3 -40.6 32.8 28.5 81 84 A R H <>S+ 0 0 40 -4,-1.5 5,-3.6 2,-0.2 -2,-0.2 0.910 110.3 49.4 -66.2 -43.5 -43.9 34.7 28.5 82 85 A I H ><5S+ 0 0 1 -4,-2.2 3,-1.0 3,-0.2 -2,-0.2 0.881 110.7 50.5 -64.7 -39.5 -45.9 31.5 28.0 83 86 A G H 3<5S+ 0 0 5 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.893 111.6 47.3 -63.4 -40.5 -44.1 29.8 30.8 84 87 A A T 3<5S- 0 0 59 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.404 115.7-120.2 -80.7 3.6 -44.8 32.8 33.1 85 88 A R T < 5 + 0 0 181 -3,-1.0 2,-1.1 1,-0.2 -3,-0.2 0.829 61.9 151.0 57.1 35.4 -48.4 32.6 31.9 86 89 A D >< + 0 0 73 -5,-3.6 4,-2.3 1,-0.2 -1,-0.2 -0.748 13.0 169.0 -96.0 85.5 -48.1 36.1 30.5 87 90 A K H > S+ 0 0 54 -2,-1.1 4,-2.3 2,-0.2 136,-0.3 0.922 75.9 47.0 -65.9 -48.2 -50.6 35.9 27.6 88 91 A E H > S+ 0 0 124 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.830 112.9 52.1 -64.0 -32.4 -50.8 39.6 26.8 89 92 A G H > S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.917 109.0 48.0 -68.6 -45.1 -47.0 39.7 26.9 90 93 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.882 112.7 49.5 -63.5 -40.1 -46.6 36.8 24.5 91 94 A D H X S+ 0 0 27 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.884 111.0 50.6 -63.1 -39.6 -49.1 38.4 22.2 92 95 A N H X S+ 0 0 42 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.839 107.1 52.4 -71.2 -34.8 -47.2 41.7 22.4 93 96 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.902 107.4 52.9 -66.3 -41.5 -43.8 40.1 21.6 94 97 A A H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.894 110.9 46.3 -61.1 -42.4 -45.2 38.5 18.5 95 98 A V H X S+ 0 0 11 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.927 112.5 50.3 -65.6 -45.7 -46.6 41.8 17.2 96 99 A H H X S+ 0 0 17 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.879 109.1 52.2 -58.7 -40.9 -43.3 43.5 18.0 97 100 A S H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.852 108.5 50.2 -66.7 -36.2 -41.3 40.9 16.1 98 101 A L H X S+ 0 0 20 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.868 110.8 48.8 -70.6 -37.7 -43.5 41.2 13.0 99 102 A I H X S+ 0 0 59 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.880 111.4 50.6 -67.2 -38.2 -43.0 45.0 13.0 100 103 A L H X S+ 0 0 31 -4,-2.1 4,-3.3 1,-0.2 5,-0.3 0.818 103.0 60.5 -67.6 -31.4 -39.3 44.5 13.4 101 104 A S H X S+ 0 0 2 -4,-1.5 4,-2.0 2,-0.2 5,-0.2 0.867 108.0 44.3 -64.3 -36.9 -39.3 42.0 10.5 102 105 A L H X S+ 0 0 92 -4,-1.2 4,-2.1 2,-0.2 5,-0.4 0.926 116.1 46.4 -70.7 -47.0 -40.6 44.8 8.3 103 106 A I H X S+ 0 0 97 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.923 120.5 37.7 -62.1 -47.5 -38.1 47.4 9.7 104 107 A L H X S+ 0 0 46 -4,-3.3 4,-1.9 2,-0.2 -2,-0.2 0.930 117.6 49.6 -71.4 -46.8 -35.1 45.0 9.5 105 108 A G H X S+ 0 0 0 -4,-2.0 4,-1.5 -5,-0.3 40,-0.2 0.926 114.4 41.2 -60.7 -51.5 -36.0 43.3 6.2 106 109 A V H X S+ 0 0 61 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.858 111.1 58.5 -67.8 -35.2 -36.7 46.4 4.1 107 110 A T H X S+ 0 0 63 -4,-1.2 4,-1.4 -5,-0.4 -1,-0.2 0.899 103.9 52.1 -60.2 -42.1 -33.7 48.2 5.6 108 111 A I H X S+ 0 0 15 -4,-1.9 4,-2.2 2,-0.2 5,-0.3 0.909 111.2 48.4 -59.0 -43.4 -31.4 45.5 4.3 109 112 A T H X S+ 0 0 22 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.949 114.2 42.6 -62.9 -52.2 -32.9 45.9 0.9 110 113 A I H < S+ 0 0 109 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.653 117.3 49.0 -73.5 -15.2 -32.6 49.6 0.6 111 114 A T H < S+ 0 0 76 -4,-1.4 4,-0.4 -5,-0.2 -1,-0.2 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