==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 25-JUL-12 4GAH . COMPND 2 MOLECULE: THIOESTERASE SUPERFAMILY MEMBER 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.LIM,M.C.PATHAK,O.HERZBERG . 367 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17263.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 33.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 2 0.5 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 . 37 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 0 0 0 0 1 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 1 1 0 1 0 2 2 4 2 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 2 0 0 0 0 0 0 0 0 0 0 1 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 43 A L 0 0 186 0, 0.0 2,-0.4 0, 0.0 36,-0.0 0.000 360.0 360.0 360.0 86.0 10.8 83.3 46.1 2 44 A K - 0 0 149 2,-0.0 2,-0.6 1,-0.0 36,-0.4 -0.748 360.0-134.0 -97.9 135.1 12.5 83.2 49.5 3 45 A D - 0 0 21 -2,-0.4 3,-0.3 1,-0.1 34,-0.2 -0.783 19.1-176.4 -86.5 116.8 16.3 83.0 50.0 4 46 A C + 0 0 18 32,-3.3 2,-0.8 -2,-0.6 54,-0.2 0.636 66.8 85.1 -89.2 -15.9 17.1 80.3 52.6 5 47 A S S S+ 0 0 1 31,-0.5 -1,-0.2 52,-0.1 54,-0.1 -0.098 76.5 89.7 -78.1 38.9 20.9 81.0 52.6 6 48 A V S S- 0 0 38 -2,-0.8 52,-0.1 -3,-0.3 13,-0.0 -0.975 91.1 -81.9-132.7 153.6 20.5 83.8 55.2 7 49 A P + 0 0 48 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 -0.084 49.8 174.5 -53.6 141.2 20.5 83.7 59.0 8 50 A N > - 0 0 21 -3,-0.0 3,-1.8 -4,-0.0 -4,-0.0 -0.855 49.7 -89.1-138.2 177.9 17.3 82.6 60.6 9 51 A P T 3 S+ 0 0 131 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.585 118.8 67.3 -73.7 0.2 16.4 82.0 64.2 10 52 A S T 3 S+ 0 0 27 2,-0.0 2,-0.4 0, 0.0 47,-0.1 0.607 77.0 111.1 -84.8 -9.9 17.4 78.2 64.0 11 53 A W < - 0 0 11 -3,-1.8 5,-0.0 1,-0.1 0, 0.0 -0.505 66.5-131.8 -78.7 121.3 21.1 79.2 63.5 12 54 A N > - 0 0 66 -2,-0.4 4,-2.0 1,-0.1 3,-0.2 -0.137 28.7-107.6 -56.8 162.3 23.5 78.3 66.3 13 55 A K H > S+ 0 0 180 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.873 119.7 57.8 -63.4 -36.3 25.9 81.1 67.3 14 56 A D H > S+ 0 0 80 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.881 107.0 46.6 -62.4 -37.4 28.7 79.3 65.6 15 57 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.911 112.9 49.7 -70.9 -42.0 27.0 79.3 62.3 16 58 A R H X S+ 0 0 97 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.915 111.9 49.1 -58.9 -46.0 26.1 83.0 62.7 17 59 A L H X S+ 0 0 100 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.865 113.4 45.4 -61.9 -39.7 29.7 83.8 63.6 18 60 A L H X S+ 0 0 4 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.906 110.4 53.5 -75.1 -39.2 31.0 82.0 60.6 19 61 A F H X S+ 0 0 14 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.906 109.4 50.0 -57.6 -45.5 28.5 83.5 58.2 20 62 A D H X S+ 0 0 103 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.855 109.3 50.7 -63.4 -38.7 29.6 87.0 59.4 21 63 A Q H X S+ 0 0 90 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.899 112.9 46.3 -66.7 -39.5 33.2 86.2 58.9 22 64 A F H X S+ 0 0 4 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.813 107.0 57.0 -74.8 -28.7 32.4 84.9 55.3 23 65 A M H < S+ 0 0 71 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.872 106.3 51.4 -66.2 -31.7 30.3 88.0 54.6 24 66 A K H >< S+ 0 0 128 -4,-1.5 3,-1.7 1,-0.2 4,-0.3 0.886 103.4 57.6 -70.4 -35.4 33.3 90.0 55.4 25 67 A K H 3< S+ 0 0 80 -4,-1.4 6,-0.8 1,-0.3 3,-0.5 0.759 100.2 59.9 -60.8 -23.6 35.4 87.9 53.0 26 68 A C T >< S+ 0 0 29 -4,-0.9 3,-1.2 -3,-0.5 -1,-0.3 0.504 79.4 92.2 -82.4 -6.7 32.8 89.0 50.3 27 69 A E T < S+ 0 0 145 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.882 91.0 37.6 -61.4 -44.0 33.7 92.7 50.8 28 70 A D T 3 S- 0 0 125 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.361 115.3-111.6 -89.1 5.0 36.4 92.9 48.1 29 71 A G S < S+ 0 0 57 -3,-1.2 -3,-0.1 2,-0.2 -2,-0.1 0.306 88.6 115.4 85.4 -10.8 34.5 90.5 45.8 30 72 A S S S+ 0 0 31 -5,-0.3 34,-0.4 33,-0.1 35,-0.3 0.823 83.2 34.8 -64.1 -31.1 36.9 87.6 46.1 31 73 A W S S- 0 0 27 -6,-0.8 2,-0.3 32,-0.2 -2,-0.2 -0.865 73.4-166.6-115.7 164.1 34.2 85.6 47.7 32 74 A K E -A 62 0A 141 30,-1.1 30,-2.8 -2,-0.3 2,-0.3 -0.994 19.4-123.9-152.1 138.3 30.4 85.7 47.0 33 75 A R E -A 61 0A 67 -2,-0.3 28,-0.2 28,-0.2 -28,-0.0 -0.652 22.5-139.2 -87.1 135.2 27.4 84.3 48.9 34 76 A L E -A 60 0A 19 26,-3.2 26,-0.7 -2,-0.3 2,-0.0 -0.844 11.6-139.7 -98.0 120.2 25.1 82.0 47.0 35 77 A P - 0 0 58 0, 0.0 2,-0.4 0, 0.0 -32,-0.1 -0.358 17.9-157.2 -65.3 154.5 21.3 82.4 47.5 36 78 A S - 0 0 19 -2,-0.0 -32,-3.3 12,-0.0 -31,-0.5 -0.998 7.5-168.0-140.8 136.3 19.3 79.2 47.8 37 79 A Y - 0 0 93 -2,-0.4 -34,-0.1 -34,-0.2 8,-0.1 -0.801 30.2-118.6-124.5 163.7 15.6 78.7 47.1 38 80 A K 0 0 76 -36,-0.4 7,-2.7 -2,-0.3 10,-0.2 0.857 360.0 360.0 -72.8 -40.1 13.0 76.0 47.7 39 81 A R 0 0 144 5,-0.2 5,-0.1 9,-0.0 -1,-0.1 -0.885 360.0 360.0 161.9 360.0 12.1 75.2 44.1 40 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 41 106 A S 0 0 163 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-145.8 3.7 70.3 41.2 42 107 A Q + 0 0 122 2,-0.0 2,-0.1 203,-0.0 0, 0.0 0.420 360.0 126.5-109.1 -0.9 4.9 69.1 44.6 43 108 A A + 0 0 18 227,-0.1 2,-0.3 226,-0.1 226,-0.2 -0.380 32.5 171.5 -67.3 130.9 8.6 68.7 43.7 44 109 A Q - 0 0 51 224,-1.9 227,-1.0 -2,-0.1 -5,-0.2 -0.947 43.0 -85.7-135.2 153.5 11.1 70.6 45.9 45 110 A L B > -n 271 0B 35 -7,-2.7 3,-1.4 -2,-0.3 227,-0.2 -0.435 38.9-134.5 -57.7 127.0 14.8 70.7 46.3 46 111 A F G > S+ 0 0 0 225,-2.4 3,-1.3 1,-0.3 4,-0.2 0.880 101.4 49.8 -52.9 -47.2 15.8 67.9 48.7 47 112 A T G 3 S+ 0 0 4 1,-0.3 -1,-0.3 224,-0.2 9,-0.2 0.536 114.8 44.9 -77.6 -3.0 18.2 70.0 50.9 48 113 A R G < S+ 0 0 9 -3,-1.4 -1,-0.3 -10,-0.2 -2,-0.2 0.113 86.5 94.3-122.1 20.1 15.6 72.7 51.3 49 114 A S < + 0 0 12 -3,-1.3 2,-0.2 220,-0.2 -2,-0.1 0.508 65.2 82.3 -99.5 -4.2 12.6 70.6 52.1 50 115 A F S S- 0 0 17 -4,-0.2 3,-0.1 6,-0.1 191,-0.0 -0.603 86.7-101.6 -90.9 160.2 12.6 70.5 55.9 51 116 A D >> - 0 0 117 -2,-0.2 4,-1.2 1,-0.2 3,-0.9 -0.284 62.7 -64.0 -68.1 167.2 11.2 73.3 58.0 52 117 A D T 34 S+ 0 0 91 1,-0.2 -1,-0.2 2,-0.2 2,-0.1 -0.286 120.8 3.1 -60.1 132.9 13.7 75.7 59.6 53 118 A G T 34 S+ 0 0 15 3,-0.1 -1,-0.2 -3,-0.1 25,-0.2 -0.014 114.3 85.4 84.8 -30.0 16.1 74.2 62.0 54 119 A L T <4 S+ 0 0 25 -3,-0.9 24,-2.1 22,-0.2 25,-0.3 0.913 100.0 6.7 -72.0 -47.1 14.8 70.7 61.4 55 120 A G S < S- 0 0 0 -4,-1.2 21,-2.8 1,-0.2 2,-0.5 0.357 117.2 -7.0-106.0-125.9 16.8 69.6 58.3 56 121 A F E - B 0 75A 6 -9,-0.2 2,-0.5 19,-0.2 -1,-0.2 -0.678 51.5-178.6 -80.7 122.5 19.7 71.2 56.4 57 122 A E E + B 0 74A 8 17,-1.9 17,-3.6 -2,-0.5 2,-0.3 -0.994 29.5 131.7-114.3 123.1 20.7 74.8 57.4 58 123 A Y E - B 0 73A 8 -2,-0.5 2,-0.3 15,-0.2 15,-0.2 -0.991 39.6-155.1-163.1 162.5 23.5 76.0 55.3 59 124 A V E - B 0 72A 0 13,-1.6 13,-2.5 -2,-0.3 2,-0.4 -0.982 18.3-143.5-140.5 140.9 25.0 78.8 53.1 60 125 A M E -AB 34 71A 6 -26,-0.7 -26,-3.2 -2,-0.3 2,-0.4 -0.867 9.8-167.4-107.4 140.8 27.5 78.5 50.3 61 126 A F E -AB 33 70A 0 9,-2.5 9,-3.1 -2,-0.4 2,-0.4 -0.992 10.9-155.3-122.2 134.0 30.3 81.0 49.6 62 127 A Y E -AB 32 69A 15 -30,-2.8 -30,-1.1 -2,-0.4 2,-0.6 -0.918 11.2-162.7-117.8 133.4 32.2 80.7 46.3 63 128 A N E > - B 0 68A 2 5,-3.0 5,-2.2 -2,-0.4 4,-0.4 -0.927 6.9-173.2-113.8 104.0 35.7 82.0 45.5 64 129 A D T > 5S+ 0 0 86 -2,-0.6 3,-1.2 -34,-0.4 -1,-0.2 0.909 81.1 56.2 -67.9 -44.8 36.1 82.1 41.7 65 130 A I T 3 5S+ 0 0 136 -35,-0.3 -1,-0.2 1,-0.3 -34,-0.1 0.880 119.8 34.0 -53.3 -39.8 39.8 82.9 41.5 66 131 A E T 3 5S- 0 0 101 -36,-0.2 -1,-0.3 2,-0.1 69,-0.2 0.391 102.4-130.3 -97.6 2.4 40.5 79.8 43.6 67 132 A K T < 5 + 0 0 72 -3,-1.2 68,-2.4 -4,-0.4 2,-0.4 0.935 60.9 145.0 45.7 52.2 37.6 77.7 42.1 68 133 A R E < -BC 63 134A 50 -5,-2.2 -5,-3.0 66,-0.2 2,-0.4 -0.969 38.3-162.7-128.8 133.9 36.7 76.9 45.7 69 134 A M E -BC 62 133A 0 64,-1.9 64,-3.4 -2,-0.4 2,-0.5 -0.960 4.6-165.9-117.0 131.6 33.3 76.4 47.4 70 135 A V E -BC 61 132A 2 -9,-3.1 -9,-2.5 -2,-0.4 2,-0.5 -0.973 1.8-164.2-115.3 128.2 32.7 76.6 51.1 71 136 A C E -BC 60 131A 0 60,-3.0 60,-3.1 -2,-0.5 2,-0.6 -0.963 7.6-156.0-111.8 120.6 29.5 75.3 52.7 72 137 A L E -BC 59 130A 0 -13,-2.5 -13,-1.6 -2,-0.5 2,-0.4 -0.854 28.4-171.3 -89.4 124.3 28.7 76.4 56.2 73 138 A F E -BC 58 129A 4 56,-2.8 56,-2.6 -2,-0.6 2,-0.5 -0.965 27.0-179.4-137.7 126.0 26.4 73.6 57.5 74 139 A Q E -BC 57 128A 7 -17,-3.6 -17,-1.9 -2,-0.4 2,-0.6 -0.967 20.7-148.4-121.9 117.9 24.2 72.9 60.5 75 140 A G E -B 56 0A 0 52,-0.8 51,-2.8 -2,-0.5 52,-0.2 -0.751 13.6-141.7 -95.3 120.4 22.4 69.6 60.6 76 141 A G > - 0 0 2 -21,-2.8 3,-2.4 -2,-0.6 -22,-0.2 -0.138 30.9 -94.5 -76.8 169.4 19.0 69.5 62.4 77 142 A P G > S+ 0 0 15 0, 0.0 158,-1.8 0, 0.0 3,-0.8 0.695 119.4 65.0 -57.5 -20.5 17.5 66.8 64.6 78 143 A Y G 3 S+ 0 0 52 -24,-2.1 162,-0.2 1,-0.2 -23,-0.1 0.397 88.8 67.8 -85.5 2.9 15.7 65.3 61.6 79 144 A L G < S+ 0 0 0 -3,-2.4 8,-3.5 -25,-0.3 11,-0.2 0.120 74.4 143.3-100.4 17.7 18.9 64.3 59.9 80 145 A E B < +Pq 86 236C 17 155,-1.1 157,-2.8 -3,-0.8 158,-0.3 -0.292 15.4 155.9 -72.4 143.6 19.8 61.7 62.5 81 146 A G S S+ 0 0 15 4,-2.5 6,-0.2 1,-0.8 133,-0.1 0.329 70.9 23.8-120.4-100.7 21.5 58.4 61.7 82 147 A P S > S- 0 0 38 0, 0.0 3,-2.7 0, 0.0 -1,-0.8 -0.458 116.9 -75.5 -60.4 143.6 23.4 56.7 64.6 83 148 A P T 3 S+ 0 0 10 0, 0.0 3,-0.1 0, 0.0 144,-0.1 -0.174 120.2 7.6 -49.9 125.7 21.8 58.1 67.8 84 149 A G T 3 S+ 0 0 15 1,-0.2 41,-2.9 -3,-0.1 2,-0.3 0.334 116.4 89.7 90.1 -6.8 23.0 61.7 68.3 85 150 A F B < S-R 124 0D 11 -3,-2.7 -4,-2.5 39,-0.3 2,-0.3 -0.802 82.3 -92.3-124.8 163.3 24.8 62.0 65.0 86 151 A I B -P 80 0C 7 37,-2.8 37,-0.3 -2,-0.3 -6,-0.2 -0.549 48.2-106.6 -74.0 129.4 24.1 63.0 61.4 87 152 A H >> - 0 0 12 -8,-3.5 4,-1.9 -2,-0.3 3,-0.8 -0.240 23.8-123.2 -51.1 140.9 23.0 60.2 59.0 88 153 A G H 3> S+ 0 0 12 1,-0.3 4,-2.2 2,-0.2 -1,-0.1 0.776 113.5 54.9 -60.8 -26.9 25.7 59.2 56.6 89 154 A G H 3> S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.757 104.2 52.0 -77.6 -26.8 23.3 60.0 53.8 90 155 A A H <> S+ 0 0 0 -3,-0.8 4,-2.0 -11,-0.2 -2,-0.2 0.847 111.0 49.3 -75.1 -34.9 22.7 63.5 55.0 91 156 A I H X S+ 0 0 10 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.959 111.6 47.3 -64.8 -50.6 26.5 64.0 55.1 92 157 A A H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.887 110.0 56.3 -55.0 -41.8 26.8 62.6 51.5 93 158 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 187,-0.3 -1,-0.2 0.920 110.6 40.8 -58.2 -48.2 23.9 64.9 50.5 94 159 A M H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.802 115.2 52.4 -75.6 -27.8 25.6 68.1 51.7 95 160 A I H X S+ 0 0 1 -4,-2.4 4,-3.1 2,-0.2 5,-0.4 0.969 111.9 45.9 -64.6 -52.4 29.0 66.9 50.3 96 161 A D H X S+ 0 0 12 -4,-3.1 4,-1.9 1,-0.2 5,-0.2 0.879 111.7 51.9 -55.8 -44.4 27.4 66.3 46.9 97 162 A A H X S+ 0 0 15 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.845 115.5 42.1 -65.1 -31.4 25.6 69.7 47.1 98 163 A T H X S+ 0 0 0 -4,-1.4 4,-1.7 -3,-0.3 -2,-0.2 0.949 117.5 41.3 -81.5 -52.6 28.8 71.5 47.8 99 164 A V H X S+ 0 0 1 -4,-3.1 4,-1.6 1,-0.2 -3,-0.2 0.829 117.3 52.1 -64.7 -28.7 31.2 69.7 45.4 100 165 A G H X S+ 0 0 11 -4,-1.9 4,-2.1 -5,-0.4 -1,-0.2 0.879 108.4 48.2 -74.6 -40.7 28.5 69.8 42.8 101 166 A M H X S+ 0 0 60 -4,-1.2 4,-1.9 -5,-0.2 -1,-0.2 0.801 108.5 56.4 -70.4 -28.2 27.9 73.5 43.1 102 167 A C H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.928 110.1 44.1 -66.0 -45.5 31.6 74.1 42.9 103 168 A A H X S+ 0 0 0 -4,-1.6 4,-2.9 1,-0.2 5,-0.2 0.866 113.1 52.3 -63.8 -39.9 31.8 72.3 39.6 104 169 A M H X S+ 0 0 68 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.832 108.7 48.4 -71.1 -35.7 28.7 74.1 38.4 105 170 A M H < S+ 0 0 68 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.862 116.0 46.3 -70.2 -38.3 30.1 77.6 39.2 106 171 A A H < S- 0 0 34 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.971 137.5 -1.0 -62.1 -56.2 33.3 76.7 37.5 107 172 A G H < S- 0 0 23 -4,-2.9 -3,-0.2 1,-0.3 2,-0.2 0.301 95.1-109.1-132.9 11.4 31.8 75.2 34.3 108 173 A G S < S+ 0 0 28 -4,-2.2 -1,-0.3 -5,-0.2 2,-0.2 -0.541 73.8 12.9 97.6-162.4 28.0 75.1 34.1 109 174 A I + 0 0 120 -2,-0.2 59,-2.3 59,-0.1 2,-0.3 -0.338 69.3 157.6 -65.5 125.4 25.4 72.3 34.3 110 175 A V E -D 167 0A 22 57,-0.3 2,-0.3 -2,-0.2 57,-0.2 -0.903 29.5-145.8-138.9 162.1 26.8 68.9 35.5 111 176 A M E -D 166 0A 62 55,-1.5 55,-2.5 -2,-0.3 2,-0.2 -0.972 33.1-102.9-129.5 147.6 25.6 65.7 37.1 112 177 A T E +D 165 0A 23 -2,-0.3 53,-0.2 53,-0.2 3,-0.1 -0.527 37.6 169.1 -68.0 131.0 27.5 63.5 39.6 113 178 A A E S+ 0 0 23 51,-2.9 197,-2.7 1,-0.4 2,-0.4 0.674 70.0 19.6-107.0 -39.7 29.0 60.5 38.1 114 179 A N E -DE 164 309A 28 50,-1.8 50,-2.1 195,-0.2 -1,-0.4 -0.993 54.8-178.7-136.2 143.4 31.2 59.4 41.1 115 180 A L E -DE 163 308A 0 193,-2.0 193,-3.0 -2,-0.4 2,-0.6 -0.961 5.4-176.9-140.9 114.6 31.1 60.2 44.9 116 181 A N E -DE 162 307A 34 46,-2.6 46,-2.0 -2,-0.4 2,-0.5 -0.897 11.2-178.0-119.6 102.8 33.8 58.7 47.1 117 182 A I E -DE 161 306A 1 189,-2.9 189,-2.0 -2,-0.6 2,-0.6 -0.868 16.7-165.6-113.0 127.1 33.4 59.6 50.8 118 183 A N E -DE 160 305A 61 42,-3.7 42,-2.4 -2,-0.5 2,-0.7 -0.943 11.3-155.0-102.6 121.7 35.5 58.7 53.8 119 184 A Y E +D 159 0A 29 185,-2.3 40,-0.2 -2,-0.6 39,-0.1 -0.871 21.0 168.4 -97.0 111.9 33.9 59.2 57.1 120 185 A K + 0 0 98 38,-2.0 39,-0.2 -2,-0.7 -1,-0.2 0.808 66.8 10.0 -95.4 -37.0 36.7 59.7 59.6 121 186 A R S S- 0 0 121 37,-2.1 -1,-0.3 35,-0.1 2,-0.1 -0.994 83.3-108.0-145.9 139.7 34.7 61.0 62.7 122 187 A P - 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