==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-AUG-03 1Q44 . COMPND 2 MOLECULE: STEROID SULFOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR G.N.PHILLIPS JR.,D.W.SMITH,K.A.JOHNSON,C.A.BINGMAN,CENTER FO . 284 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13590.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.8 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 14 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 39.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 3 1 1 1 0 0 1 2 1 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 1 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 2 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 1 0 1 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 6 A S 0 0 119 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.4 37.4 28.4 -13.6 2 7 A V - 0 0 103 1,-0.1 18,-0.0 0, 0.0 0, 0.0 -0.857 360.0 -83.3-123.6 163.0 37.8 31.4 -11.2 3 8 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.169 47.7-104.4 -62.7 158.4 39.0 31.4 -7.5 4 9 A A - 0 0 49 1,-0.1 2,-0.8 2,-0.0 0, 0.0 -0.274 29.4-111.1 -69.4 163.1 36.6 30.7 -4.7 5 10 A Y + 0 0 142 -2,-0.0 2,-0.4 11,-0.0 4,-0.1 -0.925 51.2 167.2-100.0 105.4 35.2 33.5 -2.4 6 11 A L - 0 0 52 -2,-0.8 2,-0.1 2,-0.1 -2,-0.0 -0.985 37.8 -25.2-127.9 124.4 36.9 32.8 0.9 7 12 A G S S+ 0 0 56 -2,-0.4 110,-0.1 4,-0.1 5,-0.1 -0.302 104.9 18.2 87.6-159.9 37.2 35.0 4.0 8 13 A D > - 0 0 59 108,-0.4 4,-2.4 1,-0.1 3,-0.2 -0.182 63.4-141.9 -52.4 121.5 37.1 38.7 4.6 9 14 A E H > S+ 0 0 98 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.890 98.4 57.4 -55.9 -42.9 35.5 40.4 1.6 10 15 A D H > S+ 0 0 128 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.899 110.8 43.3 -61.0 -38.5 37.8 43.4 1.7 11 16 A L H > S+ 0 0 6 2,-0.2 4,-1.9 -3,-0.2 5,-0.2 0.874 108.2 59.1 -75.7 -33.6 40.8 41.1 1.4 12 17 A T H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 3,-0.3 0.945 108.4 45.3 -53.9 -49.4 39.2 39.0 -1.3 13 18 A Q H < S+ 0 0 111 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.882 111.1 53.6 -67.1 -32.1 38.9 42.2 -3.4 14 19 A E H < S+ 0 0 91 -4,-1.5 -1,-0.2 -5,-0.2 4,-0.2 0.823 124.0 24.5 -69.5 -30.0 42.5 43.2 -2.6 15 20 A T H X S+ 0 0 2 -4,-1.9 4,-2.5 -3,-0.3 5,-0.2 0.646 96.4 86.9-110.5 -18.1 43.9 39.7 -3.8 16 21 A R H X S+ 0 0 33 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.853 89.6 48.8 -63.9 -42.3 41.5 38.2 -6.3 17 22 A A H > S+ 0 0 79 -4,-0.5 4,-1.1 2,-0.2 -1,-0.2 0.940 113.1 49.2 -62.9 -42.6 42.8 39.8 -9.5 18 23 A L H >> S+ 0 0 77 -4,-0.2 3,-1.0 1,-0.2 4,-0.6 0.962 114.2 44.9 -58.7 -49.6 46.3 38.8 -8.6 19 24 A I H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.890 108.6 56.2 -63.2 -40.6 45.3 35.2 -7.8 20 25 A S H 3< S+ 0 0 58 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.715 106.0 54.3 -63.4 -21.2 43.2 34.9 -10.9 21 26 A S H << S+ 0 0 85 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.596 89.6 94.4 -89.0 -14.1 46.3 35.9 -13.0 22 27 A L S << S- 0 0 29 -3,-1.2 14,-0.1 -4,-0.6 2,-0.0 -0.394 86.9 -91.1 -80.4 159.0 48.7 33.2 -11.7 23 28 A P - 0 0 67 0, 0.0 12,-2.4 0, 0.0 2,-0.3 -0.404 47.9-162.1 -59.0 145.0 49.3 29.9 -13.3 24 29 A K E -A 34 0A 86 10,-0.2 2,-0.3 -3,-0.1 10,-0.2 -0.943 13.1-173.6-135.3 150.6 47.1 27.1 -12.0 25 30 A E E -A 33 0A 78 8,-2.1 8,-2.3 -2,-0.3 2,-0.2 -0.928 42.1 -80.3-135.7 165.8 47.0 23.4 -12.0 26 31 A K E -A 32 0A 176 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.429 49.8-140.6 -64.4 129.8 44.6 20.6 -11.0 27 32 A G - 0 0 13 4,-2.3 -1,-0.1 3,-0.2 162,-0.0 -0.657 16.4-163.4 -90.8 155.4 44.8 20.2 -7.2 28 33 A W S S+ 0 0 55 -2,-0.3 -1,-0.2 152,-0.0 161,-0.0 0.830 97.3 33.0 -96.4 -55.4 44.7 16.9 -5.4 29 34 A L S S+ 0 0 30 2,-0.0 2,-0.3 142,-0.0 3,-0.1 0.629 137.5 15.7 -70.5 -12.7 43.9 18.1 -1.9 30 35 A V S S- 0 0 54 1,-0.1 -3,-0.2 13,-0.0 3,-0.1 -0.900 87.7 -96.2-156.8 167.5 41.9 20.9 -3.5 31 36 A S S S+ 0 0 99 -2,-0.3 -4,-2.3 1,-0.2 2,-0.3 0.968 101.5 6.2 -65.4 -55.1 40.3 22.1 -6.8 32 37 A E E -A 26 0A 32 -6,-0.2 11,-0.5 -3,-0.1 2,-0.3 -0.980 58.8-156.8-129.1 142.9 43.1 24.3 -8.1 33 38 A I E -A 25 0A 2 -8,-2.3 -8,-2.1 -2,-0.3 2,-0.4 -0.837 17.7-149.6-105.2 157.7 46.7 25.1 -6.9 34 39 A Y E -AB 24 41A 6 7,-2.2 7,-2.3 -2,-0.3 2,-0.5 -0.984 11.9-125.6-134.3 135.8 48.4 28.4 -8.0 35 40 A E E + B 0 40A 71 -12,-2.4 2,-0.4 -2,-0.4 5,-0.2 -0.702 34.0 169.2 -89.2 123.8 52.0 29.2 -8.6 36 41 A F E > - B 0 39A 19 3,-2.8 3,-1.7 -2,-0.5 -2,-0.0 -0.980 68.2 -17.5-139.7 121.4 53.3 32.2 -6.6 37 42 A Q T 3 S- 0 0 104 -2,-0.4 102,-0.1 1,-0.3 -1,-0.1 0.866 129.0 -48.8 47.2 45.8 56.9 33.1 -6.4 38 43 A G T 3 S+ 0 0 39 1,-0.2 2,-0.3 99,-0.0 -1,-0.3 0.365 120.4 90.3 90.6 -8.6 58.1 29.7 -7.5 39 44 A L E < S-B 36 0A 6 -3,-1.7 -3,-2.8 -5,-0.1 2,-0.4 -0.920 71.7-120.1-125.0 151.6 55.9 27.5 -5.2 40 45 A W E -B 35 0A 10 152,-2.7 151,-2.7 149,-0.4 2,-0.3 -0.757 36.1-179.4 -95.3 133.6 52.4 26.0 -5.6 41 46 A H E -B 34 0A 20 -7,-2.3 -7,-2.2 -2,-0.4 2,-0.1 -0.934 30.8-115.8-133.7 151.7 49.8 26.9 -3.2 42 47 A T > - 0 0 18 -2,-0.3 4,-2.4 -9,-0.2 5,-0.2 -0.474 42.5-109.4 -70.3 159.4 46.2 26.3 -2.2 43 48 A Q H > S+ 0 0 20 -11,-0.5 4,-2.3 1,-0.2 5,-0.2 0.872 116.6 52.4 -60.4 -41.2 44.0 29.4 -2.5 44 49 A A H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.941 111.9 44.3 -63.6 -49.7 43.6 29.7 1.3 45 50 A I H > S+ 0 0 39 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.922 112.0 53.7 -61.2 -41.1 47.4 29.6 2.0 46 51 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.893 107.0 50.4 -63.6 -42.2 48.1 32.0 -0.9 47 52 A Q H X S+ 0 0 8 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.943 112.3 48.8 -60.1 -42.2 45.6 34.6 0.5 48 53 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.915 111.2 48.6 -68.0 -36.8 47.3 34.2 3.9 49 54 A I H X S+ 0 0 2 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.933 110.4 51.7 -63.5 -46.2 50.8 34.6 2.3 50 55 A L H X S+ 0 0 8 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.893 114.7 41.7 -59.8 -41.1 49.8 37.7 0.4 51 56 A I H X S+ 0 0 2 -4,-2.0 4,-2.4 -5,-0.2 5,-0.3 0.899 113.1 53.8 -72.4 -42.5 48.3 39.4 3.4 52 57 A C H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.893 107.0 50.9 -57.7 -43.4 51.3 38.3 5.6 53 58 A Q H < S+ 0 0 52 -4,-2.5 90,-0.3 1,-0.2 -1,-0.2 0.902 116.3 42.2 -66.0 -37.1 53.8 39.8 3.2 54 59 A K H < S+ 0 0 115 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.789 128.1 25.2 -74.6 -34.3 51.8 43.2 3.2 55 60 A R H < S+ 0 0 85 -4,-2.4 2,-0.2 -5,-0.1 -3,-0.2 0.743 86.9 103.6-111.7 -29.6 51.1 43.4 6.9 56 61 A F < - 0 0 4 -4,-2.2 2,-0.6 -5,-0.3 88,-0.4 -0.432 45.4-164.4 -69.5 132.0 53.6 41.4 9.1 57 62 A E - 0 0 137 -2,-0.2 -1,-0.1 87,-0.1 -4,-0.0 -0.935 13.7-147.6-116.7 108.3 56.1 43.5 10.9 58 63 A A - 0 0 19 -2,-0.6 2,-0.3 2,-0.0 87,-0.0 -0.195 3.5-147.2 -68.9 157.3 59.0 41.4 12.3 59 64 A K > - 0 0 85 71,-0.1 3,-1.8 1,-0.0 89,-0.1 -0.942 22.6-122.5-120.8 151.4 60.9 42.2 15.4 60 65 A D T 3 S+ 0 0 102 -2,-0.3 -1,-0.0 1,-0.3 -2,-0.0 0.754 113.2 57.0 -64.9 -25.0 64.5 41.4 16.0 61 66 A S T 3 S+ 0 0 57 89,-0.1 -1,-0.3 2,-0.1 89,-0.1 0.428 84.8 116.4 -84.9 0.1 63.6 39.3 19.0 62 67 A D < - 0 0 1 -3,-1.8 89,-2.4 67,-0.2 2,-0.4 -0.328 49.1-157.6 -69.1 151.1 61.3 37.0 16.9 63 68 A I E -cd 131 151B 10 67,-2.9 69,-2.3 87,-0.2 2,-0.5 -0.999 9.4-165.3-126.9 123.9 61.9 33.3 16.4 64 69 A I E -cd 132 152B 1 87,-2.7 89,-2.5 -2,-0.4 2,-0.5 -0.964 8.0-153.6-115.8 122.9 60.2 31.7 13.4 65 70 A L E -cd 133 153B 0 67,-3.4 69,-2.3 -2,-0.5 2,-0.5 -0.848 11.3-158.8 -88.8 126.8 59.9 28.0 13.0 66 71 A V E +cd 134 154B 0 87,-3.0 89,-2.6 -2,-0.5 2,-0.2 -0.924 22.0 160.8-111.5 127.7 59.6 26.9 9.3 67 72 A T - 0 0 3 67,-2.3 89,-0.1 -2,-0.5 6,-0.1 -0.771 38.4 -94.6-135.1 174.8 58.1 23.5 8.6 68 73 A N > - 0 0 3 87,-0.3 3,-1.5 -2,-0.2 68,-0.1 -0.679 52.8 -81.7 -95.7 153.3 56.5 21.7 5.7 69 74 A P T 3 S- 0 0 23 0, 0.0 97,-0.1 0, 0.0 -1,-0.1 -0.227 106.9 -0.0 -56.5 129.8 52.8 21.5 5.0 70 75 A K T 3 S+ 0 0 102 1,-0.3 2,-0.2 95,-0.1 3,-0.0 0.411 91.4 128.9 72.2 3.4 50.8 18.9 7.0 71 76 A S S < S- 0 0 15 -3,-1.5 -1,-0.3 1,-0.1 2,-0.3 -0.533 71.2 -98.2 -70.8 155.3 53.7 17.5 9.0 72 77 A G + 0 0 49 -2,-0.2 -4,-0.1 1,-0.1 4,-0.1 -0.565 45.1 170.0 -71.6 136.6 53.1 17.4 12.7 73 78 A T > + 0 0 11 -2,-0.3 4,-2.7 2,-0.1 5,-0.2 0.328 47.3 102.4-129.7 2.0 54.6 20.3 14.5 74 79 A T H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.892 86.5 44.7 -57.3 -47.4 53.1 20.0 18.0 75 80 A W H > S+ 0 0 37 180,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.904 115.2 45.9 -65.8 -46.7 56.4 18.5 19.4 76 81 A L H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.917 112.6 50.7 -63.5 -44.1 58.7 20.9 17.8 77 82 A K H X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.915 113.2 47.9 -60.3 -43.4 56.5 23.9 18.8 78 83 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.2 5,-0.3 0.943 110.4 49.4 -63.4 -51.5 56.5 22.6 22.4 79 84 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.923 116.4 41.2 -53.7 -49.4 60.3 22.0 22.6 80 85 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.926 115.7 50.0 -70.9 -42.3 61.2 25.4 21.3 81 86 A F H X S+ 0 0 15 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.947 112.8 47.6 -57.9 -47.5 58.5 27.2 23.3 82 87 A A H < S+ 0 0 0 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.913 112.5 48.8 -64.6 -39.5 59.6 25.5 26.5 83 88 A L H >< S+ 0 0 0 -4,-2.4 3,-1.0 -5,-0.3 -1,-0.2 0.929 114.1 44.8 -62.4 -49.6 63.2 26.2 25.9 84 89 A L H 3< S+ 0 0 21 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.814 120.2 41.0 -65.3 -29.0 62.6 30.0 25.2 85 90 A N T 3X S+ 0 0 11 -4,-2.1 4,-3.2 -5,-0.2 -1,-0.2 0.173 73.7 125.1-106.6 17.3 60.3 30.4 28.1 86 91 A R T <4>S+ 0 0 31 -3,-1.0 5,-0.5 1,-0.2 6,-0.2 0.603 84.6 31.6 -67.9 -12.2 62.1 28.3 30.7 87 92 A H T 45S+ 0 0 146 -3,-0.3 -1,-0.2 3,-0.2 -2,-0.1 0.703 118.9 51.4-105.0 -33.3 62.2 31.1 33.3 88 93 A K T 45S+ 0 0 110 1,-0.3 -2,-0.2 -4,-0.2 -3,-0.1 0.906 133.0 16.0 -64.8 -43.1 59.0 32.9 32.4 89 94 A F T <5S- 0 0 69 -4,-3.2 -1,-0.3 -7,-0.2 -4,-0.1 -0.833 95.8-141.5-132.4 87.5 57.1 29.6 32.6 90 95 A P T > 5 - 0 0 48 0, 0.0 3,-1.1 0, 0.0 -3,-0.2 -0.260 11.3-130.1 -60.8 139.7 59.5 27.2 34.5 91 96 A V G > S- 0 0 1 -3,-1.9 4,-2.0 -4,-0.3 3,-1.9 -0.523 70.2-128.8 -73.2 133.9 52.9 25.5 32.0 98 103 A P H 3> S+ 0 0 15 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.786 108.4 65.1 -50.8 -32.4 51.2 27.1 29.0 99 104 A L H 34 S+ 0 0 4 1,-0.2 -4,-0.1 2,-0.2 -21,-0.0 0.775 110.5 36.8 -60.0 -29.1 51.9 23.9 27.1 100 105 A L H <4 S+ 0 0 82 -3,-1.9 -1,-0.2 -6,-0.3 -5,-0.1 0.817 118.9 48.9 -90.4 -35.1 49.6 22.2 29.4 101 106 A V H < S+ 0 0 102 -4,-2.0 2,-0.2 2,-0.0 -2,-0.2 0.867 122.8 17.3 -67.1 -40.3 47.0 25.1 29.8 102 107 A T S < S- 0 0 52 -4,-2.5 -5,-0.0 -5,-0.2 3,-0.0 -0.671 92.2 -86.9-133.7 171.2 46.6 25.8 26.2 103 108 A N >> - 0 0 93 -2,-0.2 4,-2.0 1,-0.1 3,-1.6 -0.677 31.6-127.2 -89.0 137.7 47.3 24.1 22.8 104 109 A P H 3> S+ 0 0 5 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.779 109.5 62.7 -55.4 -22.8 50.9 24.5 21.3 105 110 A H H 34 S+ 0 0 73 2,-0.2 5,-0.4 1,-0.2 28,-0.1 0.630 105.5 44.1 -78.3 -20.1 49.2 25.7 18.0 106 111 A L H <4 S+ 0 0 124 -3,-1.6 -1,-0.2 3,-0.1 0, 0.0 0.800 115.8 47.9 -86.1 -39.6 47.7 28.6 19.8 107 112 A L H < S+ 0 0 44 -4,-2.0 24,-0.3 1,-0.3 -2,-0.2 0.856 122.6 33.3 -63.2 -40.6 50.9 29.4 21.6 108 113 A V S < S- 0 0 0 -4,-2.5 -1,-0.3 -5,-0.2 24,-0.2 -0.863 94.2-153.9-120.4 85.1 53.0 29.2 18.5 109 114 A P - 0 0 10 0, 0.0 24,-2.6 0, 0.0 2,-0.8 -0.417 17.7-120.5 -73.0 144.8 50.7 30.4 15.8 110 115 A F B > -e 133 0B 49 -5,-0.4 4,-2.5 22,-0.2 3,-0.3 -0.701 27.9-151.6 -80.3 105.3 50.8 29.5 12.1 111 116 A L H > S+ 0 0 2 22,-3.0 4,-2.7 -2,-0.8 5,-0.2 0.892 88.8 42.5 -50.1 -58.1 51.4 33.0 10.4 112 117 A E H > S+ 0 0 1 21,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.783 114.6 53.7 -64.0 -36.5 49.8 32.5 7.0 113 118 A G H > S+ 0 0 9 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.889 109.3 47.2 -60.6 -47.7 46.9 30.6 8.6 114 119 A V H X S+ 0 0 12 -4,-2.5 4,-3.4 1,-0.2 -2,-0.2 0.950 112.3 50.0 -61.2 -48.2 46.2 33.4 11.0 115 120 A Y H < S+ 0 0 9 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.847 110.0 51.7 -61.5 -30.6 46.4 36.0 8.2 116 121 A Y H < S+ 0 0 61 -4,-1.6 -108,-0.4 -5,-0.2 -1,-0.2 0.942 124.2 25.7 -67.8 -47.0 44.0 33.9 6.0 117 122 A E H < S+ 0 0 136 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.743 137.4 25.5 -95.8 -24.3 41.3 33.6 8.7 118 123 A S >< + 0 0 49 -4,-3.4 3,-2.3 -5,-0.2 -1,-0.2 -0.602 66.3 172.4-139.3 64.4 42.0 36.7 10.9 119 124 A P T 3 S+ 0 0 9 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.754 79.1 50.4 -58.9 -22.6 43.7 39.3 8.6 120 125 A D T 3 S+ 0 0 115 2,-0.1 -5,-0.1 3,-0.0 -2,-0.0 0.372 76.3 138.4 -95.5 3.6 43.5 42.1 11.2 121 126 A F < - 0 0 77 -3,-2.3 2,-1.1 -7,-0.2 3,-0.1 -0.251 54.4-132.2 -52.6 130.7 45.1 40.0 14.0 122 127 A D > - 0 0 87 1,-0.2 3,-1.6 2,-0.1 -1,-0.1 -0.754 25.3-178.3 -96.5 96.0 47.5 42.2 15.8 123 128 A F G > S+ 0 0 7 -2,-1.1 3,-1.8 1,-0.3 -1,-0.2 0.786 79.0 68.5 -65.7 -22.6 50.7 40.2 16.2 124 129 A S G 3 S+ 0 0 68 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.680 86.2 67.4 -74.0 -12.7 52.3 43.0 18.1 125 130 A S G < S+ 0 0 86 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.459 84.5 92.4 -82.9 -0.2 49.9 42.4 21.0 126 131 A L S < S- 0 0 54 -3,-1.8 2,-0.2 -4,-0.1 4,-0.1 -0.604 88.9 -99.8 -84.9 151.8 51.7 39.0 21.5 127 132 A P - 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.483 48.1 -90.9 -72.7 142.3 54.6 39.0 24.0 128 133 A S S S+ 0 0 59 1,-0.2 -66,-0.1 -2,-0.2 2,-0.1 -0.774 107.9 55.4 -95.0 142.3 58.2 39.1 22.9 129 134 A P S S- 0 0 55 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.277 86.4-158.2 -79.7 133.0 60.1 37.1 22.2 130 135 A R - 0 0 7 -4,-0.1 -67,-2.9 -2,-0.1 2,-0.6 -0.623 7.0-161.8 -83.6 121.7 57.5 35.9 19.8 131 136 A L E +c 63 0B 11 -2,-0.5 2,-0.3 -24,-0.3 -67,-0.2 -0.935 24.0 163.0 -99.7 126.7 57.7 32.2 18.7 132 137 A M E -c 64 0B 1 -69,-2.3 -67,-3.4 -2,-0.6 2,-0.3 -0.909 27.5-134.6-141.2 162.8 55.7 31.6 15.5 133 138 A N E +ce 65 110B 4 -24,-2.6 -22,-3.0 -2,-0.3 2,-0.3 -0.889 24.9 161.5-122.6 148.0 55.4 29.0 12.7 134 139 A T E -c 66 0B 0 -69,-2.3 -67,-2.3 -2,-0.3 -24,-0.0 -0.979 35.0-152.5-153.4 162.3 55.2 29.3 8.9 135 140 A H + 0 0 33 -2,-0.3 -69,-0.1 -69,-0.2 -1,-0.1 0.224 54.8 134.1-111.4 7.0 55.7 27.3 5.7 136 141 A I - 0 0 1 1,-0.1 5,-0.1 2,-0.1 -2,-0.1 -0.313 62.1-104.8 -64.6 137.2 56.6 30.3 3.6 137 142 A S >> - 0 0 8 1,-0.1 3,-1.5 3,-0.1 4,-0.6 -0.168 25.9-115.2 -49.3 144.6 59.7 30.0 1.3 138 143 A H G >4 S+ 0 0 40 59,-0.3 3,-0.7 1,-0.3 -1,-0.1 0.868 118.6 49.8 -53.0 -36.1 62.8 31.7 2.3 139 144 A L G 34 S+ 0 0 91 1,-0.2 -1,-0.3 -102,-0.1 -2,-0.1 0.607 110.4 50.1 -83.6 -9.5 62.5 34.0 -0.7 140 145 A S G <4 S+ 0 0 6 -3,-1.5 -1,-0.2 2,-0.0 -2,-0.2 0.313 77.1 124.5-110.3 2.9 58.8 34.9 0.0 141 146 A L S << S- 0 0 5 -3,-0.7 5,-0.1 -4,-0.6 -88,-0.0 -0.336 78.1 -85.3 -61.2 149.1 59.2 35.9 3.7 142 147 A P >> - 0 0 2 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.261 40.4-115.0 -51.6 145.7 57.9 39.4 4.5 143 148 A E H 3> S+ 0 0 128 -90,-0.3 4,-2.2 1,-0.2 5,-0.2 0.855 114.3 58.6 -56.9 -34.4 60.6 42.0 3.8 144 149 A S H 3> S+ 0 0 21 -88,-0.4 4,-0.8 -91,-0.2 -1,-0.2 0.852 104.4 51.0 -66.0 -32.5 60.8 42.9 7.5 145 150 A V H X4 S+ 0 0 0 -3,-0.9 3,-0.9 2,-0.2 5,-0.4 0.948 110.3 49.4 -63.4 -49.1 61.7 39.4 8.4 146 151 A K H 3< S+ 0 0 76 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.885 116.2 42.7 -57.5 -39.4 64.5 39.4 5.7 147 152 A S H 3< S+ 0 0 101 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.532 101.9 86.2 -86.7 -11.6 65.9 42.7 7.0 148 153 A S S << S- 0 0 15 -3,-0.9 -88,-0.1 -4,-0.8 -3,-0.0 -0.340 78.5-127.1 -83.3 173.0 65.6 41.9 10.7 149 154 A S + 0 0 80 -2,-0.1 -3,-0.1 2,-0.0 -89,-0.1 -0.191 65.1 133.2-104.3 32.7 68.0 40.0 13.0 150 155 A C - 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