==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 17-MAR-11 3R43 . COMPND 2 MOLECULE: ALDO-KETO REDUCTASE FAMILY 1 MEMBER C3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.J.SQUIRE,R.M.TEAGUE,L.YOSAATMADJA . 310 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13618.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.6 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 1 0 0 1 2 1 1 1 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 2 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 PARALLEL BRIDGES PER LADDER . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 1 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 Q 0 0 161 0, 0.0 12,-2.4 0, 0.0 13,-0.4 0.000 360.0 360.0 360.0 40.1 7.2 28.3 2.2 2 7 A C E -A 12 0A 72 10,-0.3 2,-0.4 11,-0.1 8,-0.0 -0.910 360.0-138.2-131.5 153.8 7.3 27.3 5.9 3 8 A V E -A 11 0A 48 8,-2.8 8,-2.7 -2,-0.3 2,-0.6 -0.928 25.6-121.9-111.9 141.9 7.5 24.1 7.8 4 9 A K E -A 10 0A 129 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.757 30.1-139.6 -83.0 122.9 5.4 23.6 11.0 5 10 A L > - 0 0 4 4,-3.3 3,-2.0 -2,-0.6 196,-0.1 -0.303 24.9-103.3 -80.1 166.8 7.5 22.9 14.0 6 11 A N T 3 S+ 0 0 45 194,-0.4 169,-0.1 1,-0.3 -1,-0.1 0.535 120.7 53.1 -71.0 -5.4 6.8 20.4 16.7 7 12 A D T 3 S- 0 0 45 2,-0.2 -1,-0.3 167,-0.1 3,-0.1 0.208 122.2-100.5-106.1 11.0 5.7 23.2 19.1 8 13 A G S < S+ 0 0 35 -3,-2.0 -2,-0.1 1,-0.3 2,-0.1 0.221 85.6 118.9 93.8 -14.8 3.2 24.8 16.6 9 14 A H - 0 0 66 142,-0.1 -4,-3.3 -5,-0.1 2,-0.4 -0.369 60.3-122.3 -77.7 167.3 5.4 27.6 15.4 10 15 A F E -A 4 0A 123 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.0 -0.884 17.3-161.2-113.5 141.2 6.4 28.0 11.8 11 16 A M E -A 3 0A 0 -8,-2.7 -8,-2.8 -2,-0.4 32,-0.1 -0.984 25.4-120.9-122.8 125.7 9.9 28.2 10.3 12 17 A P E -A 2 0A 17 0, 0.0 -10,-0.3 0, 0.0 29,-0.0 -0.425 22.6-134.2 -63.2 137.7 10.6 29.5 6.8 13 18 A V S S+ 0 0 27 -12,-2.4 244,-2.4 243,-0.1 2,-0.5 0.627 89.6 55.9 -77.7 -11.1 12.3 26.7 4.8 14 19 A L E S-b 257 0B 8 -13,-0.4 28,-0.6 242,-0.2 29,-0.5 -0.985 73.5-169.9-122.3 126.6 15.1 28.9 3.4 15 20 A G E -b 258 0B 0 242,-2.9 244,-2.1 -2,-0.5 2,-0.5 -0.883 22.6-123.3-120.1 152.8 17.2 30.9 5.8 16 21 A F E -bc 259 44B 1 27,-3.3 29,-3.2 -2,-0.3 2,-0.5 -0.776 23.4-143.4 -92.1 123.6 19.8 33.6 5.4 17 22 A G E -bc 260 45B 8 242,-2.6 244,-0.6 -2,-0.5 29,-0.1 -0.758 16.5-175.4 -87.6 132.5 23.2 32.8 6.9 18 23 A T + 0 0 0 27,-1.7 2,-0.2 -2,-0.5 -1,-0.1 0.510 38.4 119.0-108.0 -3.6 24.8 35.8 8.6 19 24 A Y + 0 0 49 26,-0.2 32,-0.1 27,-0.1 -2,-0.1 -0.415 31.1 167.3 -68.2 131.8 28.3 34.6 9.6 20 25 A A - 0 0 2 30,-0.3 -2,-0.0 -2,-0.2 9,-0.0 -0.983 40.0-101.3-132.7 150.5 31.2 36.4 8.0 21 26 A P > - 0 0 15 0, 0.0 3,-2.3 0, 0.0 29,-0.0 -0.200 39.4-102.0 -66.6 162.7 34.8 36.1 9.2 22 27 A P T 3 S+ 0 0 84 0, 0.0 4,-0.1 0, 0.0 28,-0.0 0.700 116.0 70.6 -67.8 -10.1 36.3 38.9 11.3 23 28 A E T 3 S+ 0 0 144 2,-0.1 3,-0.0 3,-0.0 0, 0.0 0.656 82.8 85.2 -74.1 -10.3 38.2 40.5 8.3 24 29 A V S < S- 0 0 38 -3,-2.3 5,-0.1 1,-0.1 -4,-0.1 -0.804 96.3-107.6 -88.6 125.4 34.8 41.5 6.9 25 30 A P > - 0 0 79 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.236 20.7-124.2 -52.6 140.0 33.7 44.9 8.4 26 31 A R T >> S+ 0 0 61 1,-0.3 3,-0.7 2,-0.2 4,-0.7 0.776 108.2 69.6 -58.4 -28.3 30.8 44.6 10.9 27 32 A S H 3> S+ 0 0 83 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.777 85.0 68.6 -62.2 -26.2 28.9 47.1 8.8 28 33 A K H <> S+ 0 0 83 -3,-2.0 4,-3.2 1,-0.2 5,-0.3 0.896 91.1 60.9 -58.8 -39.8 28.5 44.5 6.0 29 34 A A H <> S+ 0 0 2 -3,-0.7 4,-1.9 -4,-0.5 5,-0.2 0.881 104.7 48.3 -55.9 -41.5 26.1 42.4 8.2 30 35 A L H X S+ 0 0 41 -4,-0.7 4,-1.8 -3,-0.3 -1,-0.2 0.943 114.7 45.0 -64.7 -46.4 23.6 45.3 8.4 31 36 A E H X S+ 0 0 87 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.921 116.0 44.3 -64.9 -46.7 23.7 45.9 4.6 32 37 A V H X S+ 0 0 1 -4,-3.2 4,-2.5 2,-0.2 -1,-0.2 0.870 110.1 53.9 -76.0 -29.5 23.5 42.3 3.5 33 38 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.920 108.9 49.9 -71.7 -38.9 20.7 41.3 5.9 34 39 A K H X S+ 0 0 71 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.940 111.7 49.4 -56.3 -47.6 18.6 44.2 4.6 35 40 A L H X S+ 0 0 17 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.909 107.7 54.3 -58.6 -40.5 19.3 42.9 1.1 36 41 A A H X>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-1.0 0.917 110.2 45.9 -61.8 -45.0 18.3 39.4 2.1 37 42 A I H ><5S+ 0 0 2 -4,-2.2 3,-0.7 2,-0.2 -1,-0.2 0.932 112.1 50.7 -64.8 -42.1 15.0 40.6 3.4 38 43 A E H 3<5S+ 0 0 97 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.921 108.1 54.9 -60.6 -43.9 14.4 42.7 0.2 39 44 A A H 3<5S- 0 0 20 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.766 130.0 -94.8 -56.3 -28.7 15.2 39.6 -1.8 40 45 A G T <<5S+ 0 0 34 -4,-1.0 -3,-0.2 -3,-0.7 2,-0.2 0.327 74.9 142.6 121.9 -7.3 12.5 37.6 0.0 41 46 A F < + 0 0 2 -5,-2.2 -1,-0.3 -6,-0.2 -26,-0.1 -0.460 16.4 171.4 -60.4 136.3 14.4 35.8 2.9 42 47 A R + 0 0 82 -28,-0.6 33,-3.2 -2,-0.2 2,-0.5 0.343 59.6 72.8-125.8 1.2 12.3 35.6 6.1 43 48 A H E - d 0 75B 2 -29,-0.5 -27,-3.3 31,-0.2 2,-0.5 -0.979 62.6-172.6-124.4 124.0 14.5 33.4 8.1 44 49 A I E -cd 16 76B 0 31,-2.9 33,-2.3 -2,-0.5 2,-0.6 -0.984 9.0-153.7-126.7 123.3 17.7 35.0 9.4 45 50 A D E +cd 17 77B 4 -29,-3.2 -27,-1.7 -2,-0.5 -26,-0.2 -0.862 28.3 147.5-109.3 115.7 20.4 32.9 11.2 46 51 A S - 0 0 0 31,-2.5 2,-0.3 -2,-0.6 3,-0.1 -0.559 19.1-169.7-128.1-169.8 22.7 34.6 13.8 47 52 A A >>> - 0 0 0 31,-0.2 3,-0.9 -2,-0.2 5,-0.5 -0.923 41.0-106.6-175.4 155.3 24.5 33.7 17.0 48 53 A H G >45S+ 0 0 43 31,-1.6 3,-1.4 -2,-0.3 5,-0.2 0.921 118.7 62.7 -55.1 -44.9 26.5 35.2 19.9 49 54 A L G 345S+ 0 0 49 30,-0.3 -1,-0.2 1,-0.2 74,-0.1 0.805 93.9 61.9 -48.0 -34.3 29.6 33.6 18.2 50 55 A Y G <45S- 0 0 26 -3,-0.9 -30,-0.3 1,-0.1 -1,-0.2 0.678 88.9-144.3 -80.0 -17.5 29.1 35.7 15.1 51 56 A N T <<5S+ 0 0 116 -3,-1.4 -3,-0.1 -4,-0.5 -2,-0.1 0.898 76.3 96.2 61.2 39.2 29.6 39.2 16.7 52 57 A N >< + 0 0 1 -5,-0.5 4,-3.0 2,-0.1 5,-0.3 0.224 37.0 111.9-138.7 8.1 27.0 40.7 14.4 53 58 A E H > S+ 0 0 3 -6,-0.2 4,-2.8 1,-0.2 5,-0.3 0.872 78.1 53.5 -62.6 -36.6 23.8 40.5 16.4 54 59 A E H > S+ 0 0 118 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.939 115.4 41.3 -55.5 -49.9 23.6 44.4 16.7 55 60 A Q H > S+ 0 0 46 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.899 117.3 45.6 -66.5 -44.5 23.8 44.7 13.0 56 61 A V H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.928 114.4 48.6 -68.0 -42.7 21.6 41.9 12.1 57 62 A G H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.3 -2,-0.2 0.921 111.9 51.0 -63.2 -40.0 19.0 43.0 14.7 58 63 A L H X S+ 0 0 68 -4,-2.4 4,-3.0 -5,-0.3 5,-0.2 0.918 107.2 52.9 -63.7 -44.0 19.2 46.6 13.3 59 64 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.905 111.0 47.1 -56.0 -43.2 18.7 45.3 9.7 60 65 A I H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.936 113.4 47.7 -65.9 -42.4 15.5 43.5 10.9 61 66 A R H X S+ 0 0 84 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.862 109.8 53.7 -70.4 -34.2 14.3 46.7 12.8 62 67 A S H X S+ 0 0 34 -4,-3.0 4,-2.9 2,-0.2 -1,-0.2 0.886 108.5 48.4 -57.6 -47.8 15.0 48.8 9.7 63 68 A K H <>S+ 0 0 6 -4,-1.8 6,-1.8 -5,-0.2 5,-0.8 0.752 113.8 47.3 -73.2 -22.2 12.9 46.6 7.5 64 69 A I H ><5S+ 0 0 55 -4,-1.5 3,-1.2 4,-0.2 -2,-0.2 0.923 113.4 48.8 -76.7 -46.1 10.1 46.7 10.1 65 70 A A H 3<5S+ 0 0 87 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.876 108.6 51.6 -58.9 -43.4 10.4 50.5 10.4 66 71 A D T 3<5S- 0 0 95 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.1 0.455 117.2-112.1 -77.9 1.2 10.4 51.2 6.6 67 72 A G T < 5S+ 0 0 61 -3,-1.2 -3,-0.1 2,-0.3 -2,-0.1 0.407 83.5 118.2 87.5 -1.9 7.2 49.1 6.3 68 73 A S S - 0 0 129 -2,-0.3 3,-3.2 1,-0.1 4,-0.5 -0.836 37.1-106.9-102.4 152.9 6.3 43.1 10.4 71 76 A R G > S+ 0 0 32 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.867 120.8 56.5 -43.3 -44.6 8.2 41.4 13.3 72 77 A E G 3 S+ 0 0 138 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.574 97.7 61.4 -70.5 -9.7 6.0 38.4 13.0 73 78 A D G < S+ 0 0 72 -3,-3.2 2,-0.4 2,-0.0 -1,-0.3 0.480 96.5 76.4 -86.1 -6.9 6.9 37.9 9.3 74 79 A I < - 0 0 2 -3,-1.8 2,-0.6 -4,-0.5 -31,-0.2 -0.888 65.1-157.8-112.8 134.0 10.6 37.4 10.4 75 80 A F E -d 43 0B 7 -33,-3.2 -31,-2.9 -2,-0.4 2,-0.5 -0.965 18.8-170.6-109.7 109.8 12.0 34.3 11.9 76 81 A Y E -d 44 0B 0 -2,-0.6 32,-1.8 -33,-0.2 31,-1.6 -0.917 2.7-165.9-112.2 129.1 15.1 35.2 13.8 77 82 A T E +de 45 108B 0 -33,-2.3 -31,-2.5 -2,-0.5 2,-0.3 -0.924 10.4 171.7-114.5 134.5 17.6 32.6 15.3 78 83 A S E - e 0 109B 0 30,-2.6 32,-1.7 -2,-0.4 2,-0.4 -0.812 19.3-137.6-128.4 176.3 20.3 33.1 17.8 79 84 A K E - e 0 110B 0 -2,-0.3 -31,-1.6 30,-0.2 2,-0.4 -0.998 14.6-118.4-145.6 139.4 22.5 30.5 19.6 80 85 A L E - e 0 111B 0 30,-3.1 32,-1.9 -2,-0.4 33,-0.4 -0.542 37.6-127.5 -73.3 118.9 23.9 29.9 23.0 81 86 A W > - 0 0 26 -2,-0.4 3,-2.1 30,-0.1 -1,-0.1 -0.363 18.9-113.0 -72.1 159.8 27.6 29.9 22.9 82 87 A S G > S+ 0 0 1 1,-0.3 35,-2.8 2,-0.2 3,-0.6 0.549 112.6 64.3 -78.4 -9.7 29.5 27.0 24.5 83 88 A T G 3 S+ 0 0 1 1,-0.2 37,-0.5 33,-0.2 -1,-0.3 0.407 101.0 56.1 -84.7 -1.8 31.1 28.9 27.3 84 89 A F G < + 0 0 36 -3,-2.1 -1,-0.2 35,-0.1 -2,-0.2 0.010 67.0 113.7-120.4 29.6 27.5 29.5 28.6 85 90 A H < + 0 0 2 -3,-0.6 5,-0.1 32,-0.3 -1,-0.1 0.770 45.0 103.7 -68.8 -30.5 26.3 25.9 28.9 86 91 A R S >> S- 0 0 101 -3,-0.2 3,-2.5 1,-0.1 4,-0.6 -0.422 83.2-123.2 -58.3 130.1 26.0 26.0 32.7 87 92 A P H >> S+ 0 0 50 0, 0.0 3,-1.2 0, 0.0 4,-0.6 0.807 108.0 57.0 -51.6 -40.0 22.3 26.3 33.3 88 93 A E H 34 S+ 0 0 121 1,-0.2 -2,-0.1 2,-0.1 -3,-0.1 0.707 106.4 52.8 -69.3 -14.4 22.5 29.6 35.3 89 94 A L H <> S+ 0 0 53 -3,-2.5 4,-2.0 2,-0.1 -1,-0.2 0.627 90.4 78.1 -90.6 -13.0 24.3 31.2 32.4 90 95 A V H S+ 0 0 53 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.887 111.0 51.4 -63.6 -34.5 21.5 35.8 30.9 93 98 A A H X S+ 0 0 11 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.907 111.4 47.1 -67.5 -37.6 23.2 34.8 27.6 94 99 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.909 110.0 52.8 -66.1 -42.1 19.9 34.9 25.8 95 100 A E H X S+ 0 0 74 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.885 108.1 51.5 -64.3 -36.7 19.0 38.3 27.3 96 101 A N H X S+ 0 0 82 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.901 108.9 49.4 -63.0 -44.1 22.3 39.7 26.1 97 102 A S H X S+ 0 0 3 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.920 112.1 49.6 -59.4 -43.8 21.7 38.5 22.6 98 103 A L H X>S+ 0 0 11 -4,-2.6 5,-2.0 1,-0.2 4,-1.3 0.913 111.1 48.5 -63.7 -42.7 18.2 40.1 22.7 99 104 A K H <5S+ 0 0 136 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.902 110.3 52.4 -63.1 -42.1 19.7 43.4 24.0 100 105 A K H <5S+ 0 0 80 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.942 117.8 36.4 -61.3 -44.6 22.3 43.4 21.2 101 106 A A H <5S- 0 0 0 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.621 104.7-132.2 -81.4 -14.0 19.7 42.9 18.6 102 107 A Q T <5 + 0 0 124 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.910 59.5 136.7 60.2 46.7 17.1 45.2 20.4 103 108 A L < - 0 0 18 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.887 60.6-134.9-120.0 153.0 14.4 42.6 20.0 104 109 A D S S- 0 0 146 -2,-0.3 2,-0.3 1,-0.2 -6,-0.1 0.712 84.5 -5.9 -75.8 -26.2 11.8 41.4 22.4 105 110 A Y - 0 0 39 -7,-0.1 2,-0.4 3,-0.0 45,-0.2 -0.978 62.3-121.0-160.7 160.0 12.2 37.7 21.6 106 111 A V E - f 0 150B 0 43,-2.3 45,-2.6 -2,-0.3 46,-0.3 -0.886 15.8-141.3-102.6 144.3 14.0 35.3 19.3 107 112 A D E S+ 0 0 19 -31,-1.6 45,-1.6 -2,-0.4 2,-0.3 0.860 90.8 16.1 -68.2 -28.7 12.0 33.0 17.1 108 113 A L E -ef 77 152B 1 -32,-1.8 -30,-2.6 43,-0.2 2,-0.4 -0.999 59.8-172.4-152.9 131.4 14.6 30.3 17.8 109 114 A Y E -ef 78 153B 1 43,-1.5 45,-2.2 -2,-0.3 2,-0.4 -0.998 17.4-170.7-123.1 133.2 17.4 29.8 20.3 110 115 A L E -ef 79 154B 0 -32,-1.7 -30,-3.1 -2,-0.4 2,-0.7 -0.904 34.5-116.6-123.9 151.0 19.8 26.9 19.9 111 116 A I E -ef 80 155B 0 43,-1.7 45,-1.1 -2,-0.4 -30,-0.1 -0.787 36.0-148.5 -74.2 118.2 22.5 25.3 21.8 112 117 A H - 0 0 15 -32,-1.9 -1,-0.2 -2,-0.7 -31,-0.1 0.831 67.9 -7.5 -66.5 -36.5 25.2 26.1 19.3 113 118 A S - 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0 0 11 -2,-0.4 4,-2.7 -3,-0.1 5,-0.2 -0.345 38.8 -87.5 -87.1 178.4 24.7 13.7 16.8 160 170 A R H > S+ 0 0 137 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.916 127.4 47.5 -53.2 -48.0 21.9 11.0 17.2 161 171 A R H > S+ 0 0 136 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.915 112.3 48.8 -66.0 -40.9 23.1 10.0 20.7 162 172 A Q H > S+ 0 0 5 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.905 113.3 47.9 -64.6 -38.2 23.4 13.5 21.9 163 173 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 3,-0.3 0.923 109.0 53.5 -68.1 -42.6 19.9 14.2 20.6 164 174 A E H X S+ 0 0 60 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.879 100.6 62.5 -57.5 -40.6 18.5 11.0 22.2 165 175 A M H < S+ 0 0 80 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.911 108.4 40.8 -52.1 -49.7 19.9 12.1 25.6 166 176 A I H >< S+ 0 0 0 -4,-1.2 3,-1.9 -3,-0.3 -1,-0.2 0.938 114.3 52.8 -62.9 -47.1 17.7 15.2 25.5 167 177 A L H 3< S+ 0 0 28 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.810 112.4 44.8 -62.5 -30.9 14.7 13.2 24.1 168 178 A N T 3< S+ 0 0 119 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.257 84.4 136.5 -91.6 5.9 14.9 10.6 26.8 169 179 A K X - 0 0 18 -3,-1.9 3,-1.9 -5,-0.2 -3,-0.1 -0.375 65.8-106.4 -64.3 129.9 15.3 13.2 29.6 170 180 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.323 104.5 5.4 -50.6 123.4 13.2 12.5 32.8 171 181 A G T 3 S- 0 0 74 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.692 85.3-175.5 72.7 19.1 10.4 15.1 32.8 172 182 A L < - 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