==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-NOV-11 3UG8 . COMPND 2 MOLECULE: ALDO-KETO REDUCTASE FAMILY 1 MEMBER C3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.U.FLANAGAN,Y.YOSAATMADJA,R.M.TEAGUE,M.CHAI,C.J.SQUIRE . 303 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13446.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 12.2 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 . 2 0.7 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 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 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 98 0, 0.0 12,-2.7 0, 0.0 13,-0.3 0.000 360.0 360.0 360.0-151.9 -21.4 3.7 -2.4 2 7 A C E -A 12 0A 71 10,-0.3 2,-0.4 11,-0.1 8,-0.0 -0.687 360.0-137.3-133.3 168.5 -21.2 5.6 -5.7 3 8 A V E -A 11 0A 47 8,-2.2 8,-2.8 -2,-0.2 2,-0.5 -0.973 31.2-121.3-126.6 143.1 -21.0 8.8 -7.7 4 9 A K E -A 10 0A 130 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.724 28.8-142.1 -87.0 125.4 -23.0 9.5 -10.9 5 10 A L > - 0 0 2 4,-3.2 3,-2.0 -2,-0.5 189,-0.1 -0.439 27.0-102.3 -83.7 170.2 -20.7 10.1 -13.9 6 11 A N T 3 S+ 0 0 44 187,-0.4 162,-0.1 1,-0.3 -1,-0.1 0.583 120.6 55.6 -76.1 -4.5 -21.5 12.7 -16.5 7 12 A D T 3 S- 0 0 44 2,-0.1 -1,-0.3 160,-0.1 3,-0.1 0.269 122.7-100.9-103.7 9.5 -22.7 10.0 -19.0 8 13 A G S < S+ 0 0 35 -3,-2.0 -2,-0.1 1,-0.3 2,-0.1 0.315 85.0 119.0 93.5 -12.3 -25.3 8.6 -16.5 9 14 A H - 0 0 71 135,-0.1 -4,-3.2 -5,-0.1 2,-0.4 -0.381 59.8-122.5 -83.7 167.0 -23.3 5.5 -15.3 10 15 A F E -A 4 0A 124 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.0 -0.935 17.7-162.5-116.5 137.7 -22.3 5.1 -11.6 11 16 A M E -A 3 0A 0 -8,-2.8 -8,-2.2 -2,-0.4 2,-0.1 -0.971 25.3-119.9-117.6 125.3 -18.7 4.6 -10.3 12 17 A P E -A 2 0A 17 0, 0.0 -10,-0.3 0, 0.0 29,-0.0 -0.439 21.7-134.4 -60.0 141.6 -18.0 3.2 -6.8 13 18 A V S S+ 0 0 27 -12,-2.7 237,-2.6 236,-0.1 2,-0.5 0.638 89.7 56.3 -79.8 -12.5 -16.1 5.9 -4.8 14 19 A L E S-b 250 0B 8 -13,-0.3 29,-0.6 235,-0.2 28,-0.6 -0.983 72.4-172.5-116.9 130.0 -13.4 3.4 -3.4 15 20 A G E -bc 251 43B 0 235,-2.6 237,-1.8 -2,-0.5 2,-0.6 -0.873 23.7-123.0-122.0 150.3 -11.4 1.4 -6.0 16 21 A F E -bc 252 44B 0 27,-3.4 29,-2.7 -2,-0.3 2,-0.4 -0.781 23.0-140.7 -93.2 120.7 -9.0 -1.4 -5.6 17 22 A G E -bc 253 45B 8 235,-1.9 237,-0.6 -2,-0.6 29,-0.1 -0.653 18.4-176.1 -81.8 128.4 -5.6 -0.7 -7.1 18 23 A T + 0 0 0 27,-1.3 2,-0.2 -2,-0.4 -1,-0.1 0.487 38.4 116.9-106.9 -4.7 -4.1 -3.8 -8.9 19 24 A Y + 0 0 41 26,-0.2 32,-0.1 27,-0.1 -2,-0.0 -0.481 32.3 169.2 -66.8 131.6 -0.6 -2.8 -10.0 20 25 A A - 0 0 2 30,-0.3 9,-0.0 -2,-0.2 -2,-0.0 -0.984 38.8-100.3-129.8 152.6 2.3 -4.7 -8.5 21 26 A P > - 0 0 15 0, 0.0 3,-2.3 0, 0.0 29,-0.0 -0.214 40.0 -97.5 -69.1 164.0 5.9 -4.5 -9.7 22 27 A P T 3 S+ 0 0 84 0, 0.0 4,-0.1 0, 0.0 28,-0.0 0.722 117.7 65.5 -52.1 -31.5 7.4 -7.3 -11.9 23 28 A E T 3 S+ 0 0 147 2,-0.1 3,-0.0 3,-0.0 0, 0.0 0.744 82.2 90.4 -69.4 -19.0 9.1 -9.2 -9.1 24 29 A V S < S- 0 0 39 -3,-2.3 -4,-0.1 1,-0.1 5,-0.1 -0.604 93.5-107.3 -72.6 128.5 5.7 -10.0 -7.6 25 30 A P > - 0 0 81 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.251 22.8-124.6 -60.9 147.8 4.5 -13.4 -9.1 26 31 A R T > S+ 0 0 72 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.835 105.9 65.8 -65.4 -29.6 1.6 -13.0 -11.6 27 32 A S T 3> S+ 0 0 58 1,-0.3 4,-1.5 2,-0.2 3,-0.5 0.653 85.4 73.8 -63.7 -21.1 -0.7 -15.4 -9.7 28 33 A K H <> S+ 0 0 76 -3,-1.5 4,-2.5 1,-0.2 5,-0.3 0.851 85.9 61.7 -67.2 -33.7 -0.8 -13.0 -6.7 29 34 A A H <> S+ 0 0 2 -3,-1.2 4,-1.8 -4,-0.4 -1,-0.2 0.839 102.7 52.9 -60.2 -38.4 -3.1 -10.6 -8.6 30 35 A L H > S+ 0 0 36 -4,-0.5 4,-1.9 -3,-0.5 -1,-0.2 0.963 111.5 45.3 -53.1 -54.6 -5.7 -13.4 -8.7 31 36 A E H X S+ 0 0 93 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.916 116.8 42.2 -60.6 -46.9 -5.5 -14.0 -5.0 32 37 A V H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.839 110.0 55.1 -78.7 -28.6 -5.7 -10.4 -3.9 33 38 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.917 109.2 49.5 -72.5 -37.0 -8.4 -9.3 -6.3 34 39 A K H X S+ 0 0 66 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.954 111.4 49.6 -61.3 -47.5 -10.6 -12.1 -4.9 35 40 A L H X S+ 0 0 35 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.872 109.1 53.0 -59.1 -41.9 -9.8 -10.9 -1.4 36 41 A A H X>S+ 0 0 0 -4,-2.5 5,-3.0 2,-0.2 4,-0.8 0.904 109.0 47.6 -56.7 -51.2 -10.7 -7.3 -2.4 37 42 A I H ><5S+ 0 0 2 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.922 112.2 51.2 -58.5 -42.0 -14.1 -8.3 -3.7 38 43 A E H 3<5S+ 0 0 112 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.879 107.5 52.7 -60.0 -39.1 -14.7 -10.3 -0.6 39 44 A A H 3<5S- 0 0 26 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.602 130.7 -89.7 -73.3 -17.4 -13.8 -7.4 1.6 40 45 A G T <<5S+ 0 0 39 -3,-0.9 -3,-0.2 -4,-0.8 2,-0.2 0.380 75.8 143.1 127.4 -7.4 -16.3 -5.1 -0.2 41 46 A F < + 0 0 3 -5,-3.0 -1,-0.3 -6,-0.2 -26,-0.1 -0.519 13.6 169.1 -68.2 139.3 -14.4 -3.5 -3.1 42 47 A R + 0 0 80 -28,-0.6 33,-3.5 -2,-0.2 2,-0.5 0.406 61.6 70.5-124.6 -6.2 -16.7 -3.2 -6.2 43 48 A H E -cd 15 75B 1 -29,-0.6 -27,-3.4 31,-0.2 2,-0.5 -0.958 63.7-173.1-115.9 124.6 -14.4 -0.9 -8.4 44 49 A I E -cd 16 76B 0 31,-2.9 33,-2.6 -2,-0.5 2,-0.6 -0.980 8.7-154.3-123.6 125.7 -11.3 -2.7 -9.7 45 50 A D E +cd 17 77B 4 -29,-2.7 -27,-1.3 -2,-0.5 2,-0.2 -0.898 28.9 144.9-108.8 119.0 -8.6 -0.6 -11.5 46 51 A S - 0 0 0 31,-2.2 2,-0.3 -2,-0.6 3,-0.1 -0.668 21.8-165.2-132.5-165.9 -6.3 -2.3 -14.0 47 52 A A > - 0 0 0 31,-0.2 3,-0.9 -2,-0.2 5,-0.5 -0.928 39.2-105.7-177.0 158.0 -4.5 -1.5 -17.3 48 53 A H G > S+ 0 0 76 31,-1.5 3,-1.6 -2,-0.3 5,-0.2 0.913 118.6 60.4 -59.1 -40.7 -2.8 -3.2 -20.3 49 54 A L G 3 S+ 0 0 72 30,-0.3 -1,-0.2 1,-0.3 31,-0.0 0.791 92.1 68.6 -60.9 -26.9 0.6 -1.9 -18.8 50 55 A Y G < S- 0 0 26 -3,-0.9 -30,-0.3 1,-0.1 -1,-0.3 0.667 88.8-144.8 -75.6 -11.3 0.0 -3.9 -15.5 51 56 A N S < S+ 0 0 99 -3,-1.6 -3,-0.1 -4,-0.4 -2,-0.1 0.911 78.6 93.1 50.9 42.2 0.5 -7.3 -17.2 52 57 A N >> + 0 0 1 -5,-0.5 4,-2.7 -4,-0.1 3,-0.6 0.306 37.9 109.6-141.4 5.5 -2.2 -8.6 -14.9 53 58 A E H 3> S+ 0 0 4 -6,-0.3 4,-2.7 1,-0.2 5,-0.2 0.840 81.0 54.2 -61.0 -34.1 -5.5 -8.3 -16.8 54 59 A E H 3> S+ 0 0 78 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.910 114.1 40.9 -59.1 -40.6 -5.8 -12.2 -17.2 55 60 A Q H <> S+ 0 0 51 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.908 116.5 47.7 -81.7 -41.6 -5.4 -12.7 -13.4 56 61 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.906 114.1 49.1 -64.0 -44.9 -7.7 -9.7 -12.4 57 62 A G H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.884 109.0 51.0 -58.0 -42.1 -10.3 -10.9 -14.9 58 63 A L H X S+ 0 0 68 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.888 108.6 53.5 -67.2 -36.4 -10.2 -14.5 -13.6 59 64 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.933 110.5 46.6 -60.0 -45.5 -10.7 -13.2 -10.1 60 65 A I H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.936 114.3 46.7 -64.9 -42.9 -13.8 -11.2 -11.2 61 66 A R H X S+ 0 0 85 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.874 109.6 54.3 -69.5 -33.0 -15.2 -14.2 -13.0 62 67 A S H X S+ 0 0 41 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.898 109.1 47.5 -64.5 -42.4 -14.5 -16.5 -10.1 63 68 A K H <>S+ 0 0 16 -4,-2.0 6,-1.6 2,-0.2 5,-1.1 0.711 112.8 49.8 -75.6 -23.5 -16.4 -14.2 -7.7 64 69 A I H ><5S+ 0 0 54 -4,-1.7 3,-1.5 4,-0.2 -2,-0.2 0.927 110.2 50.8 -72.6 -46.5 -19.3 -14.1 -10.2 65 70 A A H 3<5S+ 0 0 88 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.824 108.6 50.2 -63.5 -34.5 -19.3 -17.9 -10.6 66 71 A D T 3<5S- 0 0 88 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.1 0.438 116.9-114.1 -83.3 1.0 -19.4 -18.6 -6.8 67 72 A G T < 5S+ 0 0 63 -3,-1.5 -3,-0.2 2,-0.3 -2,-0.1 0.475 81.5 121.9 86.1 6.9 -22.4 -16.1 -6.5 68 73 A S S > - 0 0 117 -2,-0.3 3,-1.9 1,-0.1 4,-0.5 -0.783 35.1-110.7-101.5 156.8 -23.0 -10.1 -10.4 71 76 A R G >4 S+ 0 0 32 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.907 120.3 57.4 -50.0 -45.5 -21.1 -8.7 -13.4 72 77 A E G 34 S+ 0 0 129 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.663 98.4 59.0 -62.2 -14.5 -23.2 -5.6 -13.0 73 78 A D G <4 S+ 0 0 70 -3,-1.9 2,-0.4 2,-0.0 -1,-0.3 0.569 95.4 79.9 -86.8 -10.9 -22.1 -5.1 -9.4 74 79 A I << - 0 0 3 -3,-1.8 2,-0.6 -4,-0.5 -31,-0.2 -0.809 62.3-160.1-101.2 135.8 -18.5 -4.8 -10.6 75 80 A F E -d 43 0B 9 -33,-3.5 -31,-2.9 -2,-0.4 2,-0.5 -0.945 18.5-173.7-114.2 108.7 -16.9 -1.6 -12.0 76 81 A Y E -d 44 0B 1 -2,-0.6 32,-1.7 -33,-0.2 31,-1.7 -0.894 4.3-165.3-108.7 128.3 -13.8 -2.7 -14.0 77 82 A T E +de 45 108B 0 -33,-2.6 -31,-2.2 -2,-0.5 2,-0.3 -0.902 9.6 174.1-109.8 137.2 -11.4 -0.2 -15.5 78 83 A S E - e 0 109B 0 30,-2.5 32,-1.9 -2,-0.4 2,-0.4 -0.832 18.0-138.7-126.4 178.8 -8.7 -0.7 -18.0 79 84 A K E - e 0 110B 0 -2,-0.3 -31,-1.5 30,-0.2 2,-0.4 -0.999 14.2-120.9-145.4 140.2 -6.4 1.8 -19.8 80 85 A L E - e 0 111B 0 30,-2.9 32,-2.2 -2,-0.4 33,-0.4 -0.647 37.0-129.3 -77.9 122.6 -5.1 2.3 -23.3 81 86 A W > - 0 0 49 -2,-0.4 3,-2.0 30,-0.1 -1,-0.1 -0.337 21.1-108.4 -78.6 165.7 -1.3 2.2 -23.1 82 87 A S G > S+ 0 0 2 1,-0.3 35,-2.7 2,-0.2 3,-0.6 0.542 113.0 65.6 -79.3 -7.6 0.7 5.1 -24.7 83 88 A T G 3 S+ 0 0 32 33,-0.2 -1,-0.3 1,-0.2 3,-0.2 0.457 99.9 56.6 -81.4 -0.5 2.0 3.1 -27.7 84 89 A F G < + 0 0 58 -3,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.028 67.6 110.5-122.0 27.6 -1.6 2.8 -28.8 85 90 A H < + 0 0 1 -3,-0.6 -1,-0.1 32,-0.3 5,-0.1 0.768 46.1 104.1 -74.8 -20.1 -2.6 6.5 -29.2 86 91 A R S > S- 0 0 94 -3,-0.2 3,-2.5 1,-0.1 4,-0.5 -0.351 83.2-125.2 -63.0 131.1 -2.8 6.4 -33.0 87 92 A P G >> S+ 0 0 48 0, 0.0 3,-1.6 0, 0.0 4,-0.6 0.847 106.1 60.2 -59.5 -30.6 -6.6 6.2 -33.5 88 93 A E G 34 S+ 0 0 131 1,-0.3 -2,-0.1 2,-0.1 -3,-0.1 0.695 106.3 52.2 -67.9 -14.1 -6.6 3.1 -35.6 89 94 A L G <> S+ 0 0 51 -3,-2.5 4,-2.0 1,-0.1 -1,-0.3 0.541 88.1 79.7 -96.4 -8.4 -5.0 1.2 -32.7 90 95 A V H <> S+ 0 0 0 -3,-1.6 4,-2.1 -4,-0.5 5,-0.2 0.924 93.1 44.0 -74.5 -47.8 -7.4 2.2 -29.9 91 96 A R H X S+ 0 0 116 -4,-0.6 4,-3.0 2,-0.2 5,-0.2 0.967 114.4 49.7 -66.9 -42.0 -10.2 -0.3 -30.6 92 97 A P H > S+ 0 0 56 0, 0.0 4,-2.4 0, 0.0 -2,-0.2 0.902 109.7 52.7 -61.0 -36.9 -7.9 -3.2 -31.1 93 98 A A H X S+ 0 0 10 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.911 111.6 45.8 -63.1 -42.0 -6.1 -2.4 -27.9 94 99 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.952 110.1 53.0 -69.0 -41.9 -9.3 -2.4 -26.0 95 100 A E H X S+ 0 0 76 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.884 108.2 52.6 -56.8 -38.4 -10.5 -5.7 -27.6 96 101 A N H X S+ 0 0 91 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.902 108.7 49.1 -63.1 -42.1 -7.1 -7.2 -26.5 97 102 A S H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.914 111.4 50.0 -62.0 -42.5 -7.8 -6.1 -22.9 98 103 A L H X>S+ 0 0 11 -4,-2.7 5,-1.8 1,-0.2 4,-1.2 0.918 111.2 49.0 -62.6 -42.8 -11.3 -7.6 -23.0 99 104 A K H <5S+ 0 0 151 -4,-2.2 3,-0.2 -5,-0.2 -2,-0.2 0.937 111.3 49.2 -66.6 -39.7 -9.9 -10.9 -24.4 100 105 A K H <5S+ 0 0 95 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.921 118.4 38.6 -62.8 -43.6 -7.2 -11.1 -21.6 101 106 A A H <5S- 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.604 105.9-130.9 -81.1 -13.1 -9.8 -10.4 -18.8 102 107 A Q T <5 + 0 0 119 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.911 60.4 136.2 56.5 47.8 -12.4 -12.5 -20.6 103 108 A L < - 0 0 16 -5,-1.8 -1,-0.2 -6,-0.1 3,-0.1 -0.818 58.3-138.7-117.5 156.0 -15.0 -9.8 -20.2 104 109 A D S S+ 0 0 149 -2,-0.3 2,-0.3 1,-0.3 -6,-0.1 0.681 86.2 1.2 -85.1 -24.0 -17.6 -8.5 -22.8 105 110 A Y - 0 0 41 -7,-0.1 2,-0.3 3,-0.0 -1,-0.3 -0.974 64.6-127.4-152.5 159.0 -17.1 -4.8 -21.8 106 111 A V E - f 0 143B 0 36,-2.5 38,-2.5 -2,-0.3 39,-0.3 -0.815 17.5-139.2 -99.9 147.8 -15.1 -2.6 -19.4 107 112 A D E S+ 0 0 19 -31,-1.7 38,-1.2 -2,-0.3 2,-0.3 0.843 90.5 16.2 -69.1 -31.1 -17.0 -0.2 -17.2 108 113 A L E -ef 77 145B 2 -32,-1.7 -30,-2.5 36,-0.2 2,-0.5 -0.990 61.8-170.2-145.6 132.1 -14.3 2.4 -17.9 109 114 A Y E -ef 78 146B 1 36,-1.9 38,-2.2 -2,-0.3 2,-0.4 -0.988 17.4-169.6-120.9 131.3 -11.6 2.8 -20.4 110 115 A L E -ef 79 147B 0 -32,-1.9 -30,-2.9 -2,-0.5 2,-0.6 -0.901 34.0-117.6-115.9 151.3 -9.0 5.5 -20.0 111 116 A I E -ef 80 148B 0 36,-2.0 38,-1.3 -2,-0.4 -30,-0.1 -0.735 36.1-146.7 -72.4 113.2 -6.2 7.1 -22.0 112 117 A H - 0 0 16 -32,-2.2 -1,-0.2 -2,-0.6 -31,-0.1 0.843 67.0 -13.8 -60.5 -36.8 -3.5 6.0 -19.5 113 118 A S - 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0 0 38 -2,-0.1 4,-2.0 1,-0.1 3,-0.2 -0.937 29.2-108.7-135.7 159.9 -4.6 4.4 10.7 235 252 A P H > S+ 0 0 34 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.916 119.4 55.7 -59.1 -37.3 -2.7 6.9 8.6 236 253 A A H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.920 106.4 49.8 -61.1 -39.7 -3.8 5.1 5.5 237 254 A L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.886 109.0 52.6 -70.5 -35.3 -7.5 5.4 6.5 238 255 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.948 109.9 49.6 -60.2 -47.4 -7.0 9.2 7.2 239 256 A A H X S+ 0 0 0 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.845 113.4 44.4 -59.9 -39.6 -5.5 9.6 3.7 240 257 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 3,-0.3 0.911 112.8 50.8 -72.0 -43.3 -8.4 7.8 2.0 241 258 A R H X S+ 0 0 44 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.862 102.2 61.5 -64.9 -34.6 -11.1 9.5 4.0 242 259 A Y H X S+ 0 0 0 -4,-2.3 4,-0.8 -5,-0.2 -1,-0.2 0.918 105.6 48.6 -51.4 -46.2 -9.5 12.9 3.1 243 260 A Q H ><>S+ 0 0 0 -4,-1.0 5,-2.3 -3,-0.3 3,-1.3 0.953 108.5 51.3 -66.5 -43.7 -10.2 12.1 -0.5 244 261 A L H ><5S+ 0 0 30 -4,-1.9 3,-1.5 1,-0.3 -1,-0.2 0.911 107.0 54.5 -60.8 -38.7 -13.8 11.1 -0.1 245 262 A Q H 3<5S+ 0 0 63 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.678 105.6 51.9 -70.6 -16.6 -14.6 14.2 1.8 246 263 A R T <<5S- 0 0 22 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.301 123.0-102.4 -98.4 11.8 -13.3 16.5 -1.0 247 264 A G T < 5S+ 0 0 51 -3,-1.5 2,-0.4 -4,-0.4 -51,-0.4 0.713 77.6 139.2 81.3 17.5 -15.5 14.6 -3.6 248 265 A V < - 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