==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 28-FEB-03 1HJX . COMPND 2 MOLECULE: CHITINASE-3 LIKE PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.R.HOUSTON,A.D.RECKLIES,J.C.KRUPA,D.M.F.VAN AALTEN . 1439 6 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1021 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 183 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 8 0.6 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 . 108 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 151 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 378 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 0.9 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 11 2 3 7 5 0 4 0 0 1 1 4 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 10 13 5 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 11 8 4 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 . 4 0 0 0 4 0 0 4 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 22 A Y 0 0 136 0, 0.0 2,-0.3 0, 0.0 326,-0.3 0.000 360.0 360.0 360.0 155.9 16.7 44.5 49.8 2 23 A K E -a 327 0A 60 324,-2.7 326,-1.8 29,-0.0 2,-0.4 -0.744 360.0-162.3 -98.9 148.2 16.4 42.5 46.6 3 24 A L E -a 328 0A 5 -2,-0.3 28,-2.2 324,-0.2 29,-2.1 -0.917 15.8-170.8-130.8 98.7 18.8 39.6 45.8 4 25 A V E -ab 329 32A 0 324,-2.8 326,-2.7 -2,-0.4 2,-0.4 -0.853 4.0-172.4 -96.9 121.6 18.4 39.1 42.0 5 26 A a E -ab 330 33A 0 27,-3.1 29,-2.9 -2,-0.6 2,-0.3 -0.962 14.1-141.9-125.6 132.9 20.2 36.0 40.7 6 27 A Y E - b 0 34A 2 324,-2.5 327,-3.0 -2,-0.4 2,-0.4 -0.680 8.9-165.9 -89.2 140.0 20.6 34.8 37.1 7 28 A Y E - b 0 35A 0 27,-2.8 29,-2.3 -2,-0.3 2,-0.5 -0.992 14.8-147.6-120.1 128.0 20.4 31.2 36.1 8 29 A T E > - b 0 36A 0 -2,-0.4 3,-1.5 27,-0.2 4,-0.2 -0.872 5.2-148.3-103.4 128.9 21.8 30.5 32.6 9 30 A S G > S+ 0 0 1 27,-2.9 3,-1.1 -2,-0.5 4,-0.2 0.735 93.4 63.6 -67.5 -22.0 20.2 27.7 30.6 10 31 A W G > S+ 0 0 88 26,-0.3 3,-1.3 1,-0.2 -1,-0.3 0.628 83.4 79.2 -77.6 -8.1 23.3 26.7 28.7 11 32 A S G X S+ 0 0 0 -3,-1.5 9,-1.4 1,-0.2 3,-1.1 0.670 74.4 76.5 -71.7 -12.5 24.9 25.7 32.0 12 33 A Q G < S+ 0 0 11 -3,-1.1 -1,-0.2 7,-0.3 -2,-0.1 0.791 89.3 59.9 -64.6 -26.6 23.0 22.4 31.8 13 34 A Y G < S+ 0 0 115 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.529 73.9 115.6 -82.0 -8.7 25.5 21.2 29.2 14 35 A R S < S- 0 0 37 -3,-1.1 5,-0.3 4,-0.3 253,-0.1 -0.331 75.6 -97.4 -63.0 144.9 28.7 21.4 31.2 15 36 A E S > S- 0 0 123 251,-0.3 3,-2.3 250,-0.2 4,-0.2 -0.264 72.2 -37.3 -62.4 148.4 30.4 18.1 31.8 16 37 A G G > S+ 0 0 62 1,-0.3 3,-1.9 2,-0.2 -2,-0.0 -0.005 131.8 8.8 41.7-127.5 29.9 16.2 35.0 17 38 A D G 3 S+ 0 0 88 1,-0.3 -1,-0.3 3,-0.0 322,-0.1 0.590 121.9 70.0 -60.6 -9.5 29.6 18.2 38.3 18 39 A G G < S+ 0 0 0 -3,-2.3 -4,-0.3 -5,-0.1 -1,-0.3 0.729 71.4 106.4 -80.5 -21.1 29.5 21.4 36.2 19 40 A S < - 0 0 34 -3,-1.9 2,-0.5 -5,-0.3 -7,-0.3 -0.419 52.3-171.0 -63.1 125.6 26.0 20.6 34.8 20 41 A C + 0 0 0 -9,-1.4 -6,-0.1 -2,-0.2 -7,-0.1 -0.983 10.6 174.6-128.7 122.2 23.5 22.9 36.5 21 42 A F > - 0 0 67 -2,-0.5 3,-2.3 -9,-0.1 4,-0.3 -0.823 47.0-102.1-117.4 158.8 19.7 22.6 36.2 22 43 A P G > S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 33,-0.0 0.751 116.3 67.8 -55.6 -26.3 17.1 24.7 38.1 23 44 A D G 3 S+ 0 0 115 1,-0.3 4,-0.1 3,-0.0 -3,-0.0 0.649 91.1 63.8 -73.6 -4.2 16.4 21.9 40.6 24 45 A A G < S+ 0 0 26 -3,-2.3 -1,-0.3 2,-0.1 2,-0.2 0.556 84.8 100.7 -89.8 -6.9 19.9 22.4 41.9 25 46 A L S < S- 0 0 8 -3,-1.7 2,-0.7 -4,-0.3 -18,-0.0 -0.528 79.1-118.7 -84.0 146.3 19.1 25.9 43.0 26 47 A D >> - 0 0 37 -2,-0.2 3,-1.8 1,-0.1 4,-0.6 -0.740 18.5-151.3 -82.8 112.9 18.2 26.8 46.7 27 48 A R T 34 S+ 0 0 53 -2,-0.7 -1,-0.1 1,-0.3 42,-0.1 0.705 93.6 47.6 -60.9 -21.6 14.7 28.2 46.7 28 49 A F T 34 S+ 0 0 99 1,-0.1 -1,-0.3 41,-0.0 -2,-0.0 0.367 92.2 83.5-100.2 3.9 15.3 30.4 49.7 29 50 A L T <4 S+ 0 0 5 -3,-1.8 2,-0.2 2,-0.0 -2,-0.1 0.950 91.7 30.6 -71.5 -53.1 18.5 31.9 48.5 30 51 A a < - 0 0 6 -4,-0.6 -26,-0.2 1,-0.1 3,-0.1 -0.648 58.9-143.2-107.6 163.2 17.4 34.8 46.2 31 52 A T S S+ 0 0 51 -28,-2.2 39,-2.3 1,-0.3 2,-0.4 0.734 96.5 22.3 -92.5 -27.5 14.3 37.1 46.2 32 53 A H E -bc 4 70A 4 -29,-2.1 -27,-3.1 37,-0.2 2,-0.5 -0.992 66.8-164.4-140.6 129.5 14.3 37.0 42.3 33 54 A I E -bc 5 71A 1 37,-2.2 39,-2.0 -2,-0.4 2,-0.5 -0.969 11.4-155.8-115.3 129.8 15.7 34.4 40.0 34 55 A I E -bc 6 72A 0 -29,-2.9 -27,-2.8 -2,-0.5 2,-0.5 -0.915 5.0-146.9-110.9 123.9 16.0 35.3 36.4 35 56 A Y E -bc 7 73A 0 37,-2.8 39,-3.1 -2,-0.5 2,-0.4 -0.731 27.9-122.3 -88.3 126.1 16.1 32.6 33.6 36 57 A S E +bc 8 74A 0 -29,-2.3 -27,-2.9 -2,-0.5 -26,-0.3 -0.972 61.4 7.9-127.4 138.2 18.3 33.5 30.7 37 58 A F E + 0 0 14 37,-0.6 2,-0.3 -2,-0.4 12,-0.3 0.667 43.4 175.9-129.4 164.7 17.7 33.7 27.8 38 59 A A E - c 0 75A 0 36,-2.5 38,-1.9 -3,-0.2 9,-0.2 -0.690 29.3-132.3-101.3 158.3 14.5 33.7 25.8 39 60 A N E -I 46 0B 34 7,-2.6 7,-2.2 -2,-0.3 2,-0.4 -0.436 3.2-135.4-101.9 173.9 14.6 34.3 22.0 40 61 A I E +I 45 0B 1 5,-0.3 2,-0.4 -2,-0.1 5,-0.2 -0.952 31.9 174.6-130.3 112.8 12.5 36.6 19.8 41 62 A S E > -I 44 0B 56 3,-2.8 3,-1.8 -2,-0.4 -2,-0.0 -0.989 68.5 -4.4-127.3 130.2 11.4 34.7 16.7 42 63 A N T 3 S- 0 0 134 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.881 130.2 -63.3 55.2 35.8 9.1 36.0 14.1 43 64 A D T 3 S+ 0 0 45 1,-0.2 2,-0.4 -3,-0.1 58,-0.3 0.514 116.1 109.8 67.8 10.5 8.7 38.9 16.5 44 65 A H E < S-I 41 0B 85 -3,-1.8 -3,-2.8 57,-0.1 -1,-0.2 -0.889 78.4-108.3-112.3 144.9 7.2 36.8 19.3 45 66 A I E +I 40 0B 6 53,-0.4 2,-0.3 -2,-0.4 -5,-0.3 -0.452 54.8 167.3 -67.0 146.5 9.1 36.0 22.5 46 67 A D E -I 39 0B 65 -7,-2.2 -7,-2.6 -2,-0.1 -1,-0.0 -0.947 36.6 -78.9-155.4 172.0 10.0 32.3 22.3 47 68 A T - 0 0 45 -2,-0.3 -9,-0.1 -9,-0.2 3,-0.1 -0.290 27.8-166.8 -75.8 166.1 12.0 29.5 23.8 48 69 A W + 0 0 92 1,-0.2 2,-0.2 -11,-0.2 -1,-0.1 0.706 67.6 53.0-117.6 -58.4 15.8 29.1 23.0 49 70 A E S > S- 0 0 31 -12,-0.3 3,-1.9 1,-0.1 4,-0.3 -0.571 86.9-116.1 -84.2 150.6 16.9 25.7 24.3 50 71 A W T 3 S+ 0 0 210 1,-0.3 3,-0.3 -2,-0.2 4,-0.1 0.821 114.8 38.9 -54.5 -35.0 15.0 22.6 23.3 51 72 A N T 3> S+ 0 0 12 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.054 75.0 120.3-108.4 26.6 14.0 21.8 26.8 52 73 A D H <> S+ 0 0 0 -3,-1.9 4,-3.6 1,-0.2 5,-0.3 0.899 73.8 57.0 -57.2 -40.4 13.3 25.4 28.1 53 74 A V H > S+ 0 0 85 -3,-0.3 4,-1.8 -4,-0.3 -1,-0.2 0.926 109.8 45.2 -58.9 -42.0 9.6 24.5 28.8 54 75 A T H > S+ 0 0 94 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.929 115.5 46.5 -64.5 -45.7 10.8 21.7 31.1 55 76 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.880 106.9 57.4 -67.8 -35.8 13.5 23.9 32.7 56 77 A Y H X S+ 0 0 2 -4,-3.6 4,-3.3 1,-0.2 -1,-0.2 0.943 109.1 47.9 -56.7 -45.2 10.9 26.8 33.2 57 78 A G H X S+ 0 0 35 -4,-1.8 4,-1.8 -5,-0.3 -2,-0.2 0.896 108.6 52.1 -63.8 -40.8 8.9 24.3 35.2 58 79 A M H X S+ 0 0 37 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.907 113.9 45.4 -60.8 -42.9 11.8 23.2 37.3 59 80 A L H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 4,-0.3 0.960 112.5 48.5 -66.2 -50.6 12.5 26.8 38.1 60 81 A N H >< S+ 0 0 20 -4,-3.3 3,-1.4 1,-0.3 4,-0.3 0.754 97.5 69.9 -66.1 -19.8 9.0 27.8 38.9 61 82 A T H >X S+ 0 0 73 -4,-1.8 3,-1.8 1,-0.3 4,-0.5 0.759 83.3 73.9 -65.8 -25.5 8.5 24.8 41.1 62 83 A L T << S+ 0 0 9 -3,-1.5 4,-0.5 -4,-0.5 3,-0.3 0.751 87.5 62.6 -59.2 -24.2 10.9 26.5 43.6 63 84 A K T <4 S+ 0 0 36 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.679 83.2 78.5 -75.4 -18.5 8.0 28.9 44.4 64 85 A N T <4 S+ 0 0 125 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.945 107.5 28.4 -55.6 -49.5 5.8 26.1 45.7 65 86 A R S < S+ 0 0 165 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.2 0.520 128.5 47.5 -89.8 -8.1 7.7 26.0 49.0 66 87 A N > + 0 0 20 -4,-0.5 3,-1.1 1,-0.1 -1,-0.2 -0.715 58.7 175.9-135.7 85.5 8.7 29.7 48.8 67 88 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.797 80.4 61.6 -57.8 -31.5 5.7 32.0 47.9 68 89 A N T 3 S+ 0 0 141 2,-0.1 -5,-0.1 -36,-0.0 2,-0.1 0.768 81.2 103.8 -66.5 -28.3 7.8 35.1 48.3 69 90 A L < - 0 0 3 -3,-1.1 2,-0.3 -7,-0.1 -37,-0.2 -0.330 56.2-161.1 -61.3 131.5 10.2 34.0 45.5 70 91 A K E -c 32 0A 73 -39,-2.3 -37,-2.2 -2,-0.1 2,-0.4 -0.879 1.4-159.2-113.8 147.1 9.7 35.8 42.1 71 92 A T E -c 33 0A 0 -2,-0.3 41,-2.8 -39,-0.2 42,-0.5 -0.957 7.4-174.2-125.8 146.0 10.9 34.6 38.8 72 93 A L E -cd 34 113A 0 -39,-2.0 -37,-2.8 -2,-0.4 2,-0.5 -0.955 20.7-132.3-134.8 157.4 11.5 36.5 35.5 73 94 A L E -cd 35 114A 0 40,-2.0 42,-2.6 -2,-0.3 2,-0.4 -0.937 20.0-145.9-109.4 129.1 12.5 35.5 32.0 74 95 A S E -cd 36 115A 0 -39,-3.1 -36,-2.5 -2,-0.5 -37,-0.6 -0.842 10.7-158.2 -99.7 131.4 15.3 37.5 30.4 75 96 A V E +cd 38 116A 0 40,-2.3 42,-2.6 -2,-0.4 2,-0.5 -0.894 59.7 20.2-111.2 137.0 15.1 38.1 26.6 76 97 A G E + d 0 117A 1 -38,-1.9 42,-0.2 -2,-0.4 3,-0.2 -0.952 62.7 171.3 115.4-125.4 18.2 38.9 24.5 77 98 A G >> - 0 0 3 40,-2.8 3,-0.8 -2,-0.5 4,-0.6 -0.349 55.6 -62.7 100.5 175.8 21.7 38.0 25.8 78 99 A W T 34 S+ 0 0 105 1,-0.2 4,-0.2 2,-0.2 3,-0.2 0.783 130.9 51.7 -70.4 -29.8 25.1 38.1 24.1 79 100 A N T 34 S+ 0 0 143 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.488 91.6 79.3 -87.5 -0.7 24.3 35.5 21.4 80 101 A F T <4 S- 0 0 7 -3,-0.8 -1,-0.2 39,-0.1 -2,-0.2 0.932 99.4-114.6 -71.1 -47.7 21.1 37.3 20.3 81 102 A G X - 0 0 32 -4,-0.6 4,-2.2 38,-0.2 5,-0.2 0.541 6.0-135.8 108.4 101.2 22.7 39.9 18.1 82 103 A S H > S+ 0 0 36 37,-0.3 4,-2.6 1,-0.2 5,-0.1 0.885 109.1 55.7 -49.8 -40.6 22.4 43.6 19.1 83 104 A Q H > S+ 0 0 138 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.937 106.4 47.9 -59.7 -49.0 21.6 44.2 15.4 84 105 A R H > S+ 0 0 92 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.878 111.9 49.6 -63.8 -34.3 18.7 41.8 15.4 85 106 A F H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.937 109.2 53.7 -68.0 -43.4 17.3 43.3 18.6 86 107 A S H X S+ 0 0 12 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.912 105.6 52.9 -55.0 -46.4 17.6 46.8 17.1 87 108 A K H X S+ 0 0 158 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.922 110.9 46.8 -57.2 -45.8 15.7 45.7 14.0 88 109 A I H < S+ 0 0 11 -4,-1.8 7,-0.2 1,-0.2 -1,-0.2 0.917 114.4 46.3 -64.0 -43.9 12.8 44.4 16.2 89 110 A A H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.768 111.6 49.6 -72.5 -27.9 12.7 47.6 18.4 90 111 A S H < S+ 0 0 50 -4,-2.2 2,-0.5 -5,-0.2 -1,-0.2 0.782 92.3 84.1 -83.4 -26.1 12.8 50.2 15.5 91 112 A N S X S- 0 0 65 -4,-1.3 4,-2.5 -5,-0.2 5,-0.3 -0.659 72.5-146.0 -80.0 122.5 10.0 48.6 13.4 92 113 A T H > S+ 0 0 89 -2,-0.5 4,-1.5 1,-0.2 -1,-0.1 0.889 97.9 42.5 -54.4 -43.7 6.6 49.8 14.6 93 114 A Q H > S+ 0 0 136 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.938 113.5 48.4 -68.7 -54.1 5.0 46.5 13.8 94 115 A S H > S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.887 111.8 51.5 -55.0 -43.8 7.7 44.1 15.0 95 116 A R H X S+ 0 0 24 -4,-2.5 4,-2.8 -7,-0.2 -1,-0.2 0.913 110.7 47.6 -62.9 -43.4 7.8 46.0 18.3 96 117 A R H X S+ 0 0 99 -4,-1.5 4,-2.9 -5,-0.3 -2,-0.2 0.917 112.7 48.7 -64.2 -43.6 4.1 45.8 18.8 97 118 A T H X S+ 0 0 47 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.917 112.7 48.8 -62.1 -44.1 4.0 42.1 18.0 98 119 A F H X S+ 0 0 0 -4,-2.6 4,-1.3 -5,-0.2 -53,-0.4 0.977 114.1 44.5 -60.1 -55.8 6.9 41.5 20.4 99 120 A I H >< S+ 0 0 3 -4,-2.8 3,-0.5 1,-0.2 -2,-0.2 0.909 112.3 52.0 -57.3 -44.1 5.3 43.4 23.2 100 121 A K H 3< S+ 0 0 128 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.898 107.2 55.1 -61.3 -36.8 1.9 41.9 22.6 101 122 A S H 3X S+ 0 0 14 -4,-2.3 4,-1.6 -58,-0.3 -1,-0.2 0.777 94.4 71.9 -68.3 -25.4 3.5 38.4 22.8 102 123 A V H S+ 0 0 2 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.915 113.0 47.1 -57.4 -43.4 2.4 38.7 28.9 104 125 A P H > S+ 0 0 72 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.953 112.6 50.9 -63.5 -40.2 0.6 35.6 27.6 105 126 A F H X S+ 0 0 25 -4,-1.6 4,-2.0 1,-0.2 6,-0.2 0.925 112.9 45.4 -61.4 -44.1 4.0 33.8 27.3 106 127 A L H X>S+ 0 0 0 -4,-2.6 5,-2.0 2,-0.2 4,-0.8 0.946 115.8 45.1 -66.0 -45.6 4.9 34.8 30.9 107 128 A R H ><5S+ 0 0 83 -4,-2.8 3,-0.7 -5,-0.2 -2,-0.2 0.927 113.5 51.9 -62.9 -42.3 1.5 33.8 32.3 108 129 A T H 3<5S+ 0 0 106 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.860 116.9 38.0 -63.0 -35.2 1.5 30.6 30.3 109 130 A H H 3<5S- 0 0 47 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.393 114.5-110.3-102.0 7.0 5.0 29.6 31.6 110 131 A G T <<5 + 0 0 32 -4,-0.8 2,-0.2 -3,-0.7 -3,-0.2 0.669 63.3 146.8 82.2 18.1 4.6 30.8 35.2 111 132 A F < - 0 0 3 -5,-2.0 -1,-0.2 -6,-0.2 -39,-0.2 -0.566 43.5-147.4 -88.7 152.9 7.0 33.8 35.2 112 133 A D S S- 0 0 48 -41,-2.8 40,-2.7 -2,-0.2 2,-0.3 0.463 72.3 -22.4 -96.6 -4.2 6.4 36.9 37.3 113 134 A G E -de 72 152A 0 -42,-0.5 -40,-2.0 38,-0.3 2,-0.4 -0.983 63.5 -93.9 175.9 178.1 8.0 39.3 34.9 114 135 A L E -de 73 153A 0 38,-2.4 40,-2.5 -2,-0.3 2,-0.5 -0.912 19.1-156.0-118.8 141.7 10.4 40.1 32.0 115 136 A D E -de 74 154A 0 -42,-2.6 -40,-2.3 -2,-0.4 2,-0.6 -0.985 17.2-141.8-115.8 124.7 14.0 41.2 32.1 116 137 A L E +de 75 155A 1 38,-2.6 40,-2.4 -2,-0.5 2,-0.2 -0.784 21.9 176.6 -89.5 124.3 15.2 43.0 29.0 117 138 A A E +d 76 0A 1 -42,-2.6 -40,-2.8 -2,-0.6 2,-0.9 -0.520 10.3 161.2-127.2 64.6 18.8 42.1 28.1 118 139 A W - 0 0 2 -42,-0.2 2,-0.6 38,-0.2 -42,-0.1 -0.775 37.1-140.8 -83.3 108.0 19.5 43.9 24.9 119 140 A L S S- 0 0 20 -2,-0.9 -37,-0.3 -42,-0.5 -38,-0.2 -0.782 73.3 -16.6-115.5 88.1 23.3 43.7 25.0 120 141 A Y - 0 0 67 -2,-0.6 -1,-0.3 -38,-0.1 -35,-0.1 0.672 55.0-149.7-140.3 163.5 23.6 46.4 24.0 121 142 A P - 0 0 3 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.418 35.9-145.0 -67.0 149.7 21.7 49.1 22.2 122 143 A G > - 0 0 26 1,-0.2 3,-2.1 -40,-0.1 4,-0.3 -0.408 35.9 -65.6-104.6-174.6 24.1 51.2 20.1 123 144 A R T 3 S+ 0 0 112 1,-0.3 -1,-0.2 2,-0.2 44,-0.1 -0.562 130.1 40.9 -64.5 139.7 24.2 54.9 19.2 124 145 A R T 3 S+ 0 0 198 42,-0.3 -1,-0.3 -2,-0.2 4,-0.2 0.138 106.4 68.8 101.4 -16.0 21.0 55.2 17.1 125 146 A D <> + 0 0 4 -3,-2.1 4,-2.7 41,-0.2 5,-0.2 0.427 64.5 98.4-111.6 -1.2 19.1 53.0 19.4 126 147 A K H > S+ 0 0 52 40,-0.4 4,-1.7 -4,-0.3 43,-0.3 0.905 91.3 38.6 -54.8 -46.1 18.8 55.2 22.5 127 148 A Q H > S+ 0 0 116 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.881 114.1 53.9 -74.5 -36.0 15.3 56.4 21.7 128 149 A H H > S+ 0 0 62 -4,-0.2 4,-3.0 2,-0.2 5,-0.2 0.909 108.6 51.0 -62.5 -38.5 14.1 53.0 20.4 129 150 A F H X S+ 0 0 2 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.931 110.8 47.8 -63.6 -46.0 15.2 51.5 23.7 130 151 A T H X S+ 0 0 19 -4,-1.7 4,-2.5 -5,-0.2 -2,-0.2 0.926 114.0 47.6 -58.7 -46.0 13.3 54.1 25.7 131 152 A T H X S+ 0 0 47 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.905 109.4 52.9 -62.5 -44.4 10.2 53.5 23.5 132 153 A L H X S+ 0 0 2 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.920 112.2 45.9 -58.7 -45.3 10.4 49.8 23.8 133 154 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.943 112.8 48.2 -67.7 -44.3 10.6 50.0 27.6 134 155 A K H X S+ 0 0 124 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.942 115.8 44.6 -60.1 -46.8 7.7 52.5 27.9 135 156 A E H X S+ 0 0 73 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.901 111.9 51.8 -66.5 -39.7 5.5 50.5 25.6 136 157 A M H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.928 111.3 47.9 -63.3 -44.1 6.3 47.2 27.3 137 158 A K H X S+ 0 0 19 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.910 108.6 54.7 -62.7 -40.1 5.5 48.7 30.7 138 159 A A H X S+ 0 0 55 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.899 107.3 51.0 -59.6 -40.7 2.2 50.1 29.3 139 160 A E H X S+ 0 0 25 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.877 107.9 51.7 -65.9 -38.7 1.2 46.6 28.1 140 161 A F H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 11,-0.4 0.879 109.6 49.8 -66.1 -37.4 1.9 45.1 31.5 141 162 A I H X S+ 0 0 86 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.938 112.5 47.5 -64.7 -43.8 -0.3 47.7 33.2 142 163 A K H < S+ 0 0 111 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.902 109.6 53.3 -62.3 -45.2 -3.1 47.0 30.7 143 164 A E H < S+ 0 0 31 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.830 116.9 37.5 -61.5 -34.9 -2.8 43.2 31.2 144 165 A A H X S+ 0 0 7 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.605 84.1 104.2 -94.2 -11.4 -3.1 43.5 34.9 145 166 A Q T < S+ 0 0 143 -4,-1.3 2,-1.7 -3,-0.3 -1,-0.2 0.755 71.7 67.1 -42.6 -35.6 -5.7 46.3 35.0 146 167 A P T 4 S- 0 0 96 0, 0.0 -1,-0.3 0, 0.0 -4,-0.0 -0.506 132.3 -74.5 -91.0 73.8 -8.4 43.8 35.9 147 168 A G T 4 S+ 0 0 79 -2,-1.7 -2,-0.2 1,-0.1 2,-0.1 0.527 86.9 137.8 56.7 16.9 -7.0 42.9 39.4 148 169 A K < - 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f 0 183A 9 -2,-0.4 26,-0.1 24,-0.2 -1,-0.0 -0.292 15.3-150.6 -61.7 147.3 25.9 48.0 30.9 159 180 A A + 0 0 3 24,-0.7 2,-0.5 26,-0.2 56,-0.2 0.305 63.7 114.7 -97.1 2.9 28.1 49.6 33.6 160 181 A G > - 0 0 24 1,-0.1 4,-2.6 54,-0.1 3,-0.4 -0.675 64.5-144.0 -82.8 124.9 30.4 50.9 31.0 161 182 A K H > S+ 0 0 35 -2,-0.5 4,-2.6 52,-0.3 5,-0.2 0.851 98.8 54.3 -52.9 -43.2 30.4 54.7 30.8 162 183 A V H > S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.919 112.6 42.3 -61.2 -44.0 30.8 54.7 27.0 163 184 A T H > S+ 0 0 36 -3,-0.4 4,-2.9 2,-0.2 5,-0.4 0.895 112.5 53.3 -70.0 -38.7 27.7 52.5 26.5 164 185 A I H X S+ 0 0 1 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.933 111.5 46.8 -61.3 -46.2 25.6 54.4 29.1 165 186 A D H < S+ 0 0 38 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.886 120.3 37.6 -64.8 -38.5 26.3 57.7 27.4 166 187 A S H < S+ 0 0 28 -4,-1.8 -40,-0.4 -5,-0.2 -42,-0.3 0.819 128.4 25.3 -85.6 -25.8 25.5 56.4 23.9 167 188 A S H < S+ 0 0 1 -4,-2.9 2,-0.4 -5,-0.2 -3,-0.2 0.663 103.1 66.6-116.4 -18.5 22.6 54.0 24.5 168 189 A Y < - 0 0 7 -4,-1.6 2,-1.0 -5,-0.4 3,-0.1 -0.908 45.2-162.7-117.1 135.3 20.6 54.8 27.6 169 190 A D > - 0 0 33 -2,-0.4 4,-2.4 -43,-0.3 3,-0.3 -0.817 26.8-174.5-105.3 88.0 18.4 57.7 28.5 170 191 A I H > S+ 0 0 4 -2,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.864 72.8 52.8 -55.4 -46.7 18.6 56.7 32.2 171 192 A A H > S+ 0 0 37 55,-0.5 4,-0.6 1,-0.2 -1,-0.2 0.900 113.9 44.0 -60.9 -39.6 16.1 59.2 33.7 172 193 A K H >> S+ 0 0 104 -3,-0.3 3,-0.9 2,-0.2 4,-0.5 0.958 115.1 43.6 -74.0 -47.4 13.4 58.2 31.2 173 194 A I H >X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 3,-1.2 0.855 104.9 66.4 -68.0 -29.4 13.7 54.4 31.3 174 195 A S H 3< S+ 0 0 3 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.772 92.5 60.4 -58.8 -31.1 14.0 54.4 35.1 175 196 A Q H << S+ 0 0 117 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.792 112.9 37.3 -69.4 -24.6 10.5 55.7 35.5 176 197 A H H << S+ 0 0 34 -3,-1.2 2,-0.3 -4,-0.5 -2,-0.2 0.646 99.2 84.8-101.3 -21.0 9.1 52.5 33.8 177 198 A L < - 0 0 1 -4,-1.5 -23,-0.2 1,-0.1 3,-0.1 -0.631 65.1-147.1 -85.8 143.4 11.4 49.8 35.0 178 199 A D S S- 0 0 48 -25,-3.7 2,-0.3 1,-0.3 -24,-0.2 0.798 84.8 -12.1 -75.0 -34.0 10.7 48.1 38.3 179 200 A F E -f 154 0A 2 -26,-0.9 -24,-0.9 -3,-0.0 2,-0.4 -0.969 60.5-138.4-161.0 159.2 14.5 47.7 38.8 180 201 A I E -fg 155 233A 1 52,-3.1 54,-3.2 -2,-0.3 2,-0.7 -0.986 11.6-152.3-120.6 126.7 17.7 48.1 36.8 181 202 A S E -fg 156 234A 0 -26,-2.9 -24,-2.7 -2,-0.4 2,-0.5 -0.905 14.0-152.5 -99.3 115.0 20.5 45.5 37.2 182 203 A I E -fg 157 235A 0 52,-2.4 2,-1.9 -2,-0.7 54,-1.9 -0.749 12.5-134.9 -89.7 128.7 23.8 47.3 36.5 183 204 A M E +f 158 0A 9 -26,-2.8 2,-2.1 -2,-0.5 -24,-0.7 -0.446 30.0 175.5 -88.2 72.7 26.4 44.9 35.2 184 205 A T + 0 0 0 -2,-1.9 2,-0.3 -26,-0.1 32,-0.2 -0.443 51.6 66.7 -81.4 68.6 29.3 46.0 37.3 185 206 A Y + 0 0 8 -2,-2.1 -26,-0.2 52,-0.1 14,-0.2 -0.922 66.7 61.8-168.7 174.8 31.8 43.4 36.1 186 207 A D S S+ 0 0 50 -2,-0.3 13,-0.2 1,-0.2 2,-0.1 0.837 70.4 170.2 61.8 30.4 33.7 42.4 32.9 187 208 A F - 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