==== 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 SIGNALING PROTEIN 09-JUL-06 2DT3 . COMPND 2 MOLECULE: CHITINASE-3-LIKE PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: CAPRA HIRCUS; . AUTHOR J.KUMAR,A.S.ETHAYATHULLA,D.B.SRIVASTAVA,N.SINGH,S.SHARMA,T.P . 361 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15674.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 2 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 . 22 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 0 2 0 2 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 4 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 PARALLEL BRIDGES PER LADDER . 1 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 1 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 1 A Y 0 0 120 0, 0.0 2,-0.3 0, 0.0 325,-0.2 0.000 360.0 360.0 360.0 150.1 14.5 14.9 57.1 2 2 A K E -a 326 0A 63 323,-2.3 325,-2.3 29,-0.1 2,-0.5 -0.797 360.0-161.7-100.9 143.3 15.0 11.4 55.7 3 3 A L E -a 327 0A 5 -2,-0.3 29,-2.0 323,-0.2 28,-2.0 -0.875 12.4-169.6-125.0 96.2 15.8 10.7 52.1 4 4 A I E -ab 328 32A 1 323,-2.8 325,-3.2 -2,-0.5 2,-0.5 -0.776 7.1-173.1 -89.0 117.1 15.0 7.0 51.5 5 5 A a E -ab 329 33A 0 27,-3.4 29,-2.7 -2,-0.6 2,-0.3 -0.946 12.7-145.3-121.3 130.3 16.3 5.8 48.1 6 6 A Y E - b 0 34A 5 323,-2.4 326,-2.6 -2,-0.5 325,-0.4 -0.657 7.7-166.1 -91.1 143.4 15.7 2.4 46.4 7 7 A Y E - b 0 35A 0 27,-2.9 29,-2.5 -2,-0.3 2,-0.4 -0.995 17.4-139.4-124.7 130.7 18.2 0.6 44.2 8 8 A T E > - b 0 36A 0 -2,-0.4 3,-0.8 27,-0.2 4,-0.2 -0.774 4.8-143.7 -99.3 139.1 17.0 -2.3 42.1 9 9 A S G > S+ 0 0 1 27,-2.8 3,-1.2 -2,-0.4 28,-0.1 0.891 97.0 55.5 -61.8 -44.9 19.0 -5.5 41.6 10 10 A W G > S+ 0 0 90 1,-0.2 3,-1.5 26,-0.2 -1,-0.2 0.562 82.8 84.9 -70.9 -8.3 18.0 -6.1 38.0 11 11 A S G X S+ 0 0 0 -3,-0.8 9,-1.4 1,-0.3 3,-1.2 0.683 75.4 73.3 -69.0 -14.5 19.1 -2.7 36.8 12 12 A Q G < S+ 0 0 15 -3,-1.2 -1,-0.3 7,-0.2 -2,-0.1 0.777 89.5 61.1 -67.0 -26.1 22.6 -4.1 36.4 13 13 A Y G < S+ 0 0 112 -3,-1.5 -1,-0.2 -4,-0.1 2,-0.2 0.358 76.0 112.7 -84.7 2.5 21.4 -6.1 33.3 14 14 A R S < S- 0 0 29 -3,-1.2 5,-0.4 4,-0.2 252,-0.1 -0.569 71.6-108.0 -79.3 141.4 20.4 -3.0 31.2 15 15 A E > - 0 0 111 250,-0.3 3,-1.8 -2,-0.2 4,-0.3 -0.223 69.4 -23.7 -69.6 155.3 22.4 -2.4 28.1 16 16 A G G > S- 0 0 60 1,-0.3 3,-1.6 2,-0.2 -2,-0.1 -0.093 131.8 -3.8 48.5-137.3 24.9 0.4 27.6 17 17 A D G 3 S+ 0 0 78 1,-0.3 -1,-0.3 3,-0.0 321,-0.1 0.680 124.0 73.9 -59.1 -21.6 24.4 3.5 29.7 18 18 A G G < S+ 0 0 0 -3,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.830 73.0 102.0 -63.4 -30.9 21.3 2.0 31.2 19 19 A S < - 0 0 23 -3,-1.6 2,-0.4 -5,-0.4 -7,-0.2 -0.303 54.9-172.2 -57.9 130.0 23.3 -0.5 33.3 20 20 A C - 0 0 2 -9,-1.4 -6,-0.1 -12,-0.1 -7,-0.1 -0.983 11.4-174.7-135.5 126.7 23.6 0.6 36.9 21 21 A F > - 0 0 79 -2,-0.4 3,-3.7 -9,-0.1 4,-0.3 -0.865 42.7-109.7-115.0 151.0 25.7 -0.8 39.8 22 22 A P G > S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.782 116.4 74.1 -43.6 -32.4 25.6 0.3 43.5 23 23 A D G 3 S+ 0 0 117 1,-0.3 -3,-0.0 3,-0.0 32,-0.0 0.660 85.5 61.8 -56.7 -22.8 29.0 1.8 42.6 24 24 A A G < S+ 0 0 36 -3,-3.7 2,-0.4 2,-0.1 -1,-0.3 0.525 82.1 109.3 -86.0 -5.6 27.2 4.6 40.7 25 25 A I S < S- 0 0 3 -3,-2.1 -18,-0.0 -4,-0.3 308,-0.0 -0.579 72.6-125.6 -81.4 130.0 25.5 5.9 43.8 26 26 A D >> - 0 0 59 -2,-0.4 3,-1.7 1,-0.2 4,-0.7 -0.604 17.0-147.4 -71.8 114.7 26.5 9.2 45.4 27 27 A P T 34 S+ 0 0 4 0, 0.0 -1,-0.2 0, 0.0 42,-0.1 0.731 96.5 45.0 -55.3 -27.1 27.2 8.3 49.1 28 28 A F T 34 S+ 0 0 106 1,-0.1 -2,-0.1 41,-0.1 -3,-0.0 0.411 92.2 83.0-101.9 1.3 25.9 11.7 50.3 29 29 A L T <4 S+ 0 0 5 -3,-1.7 2,-0.2 2,-0.0 -1,-0.1 0.976 96.3 26.5 -68.7 -56.6 22.8 11.9 48.2 30 30 A a < - 0 0 5 -4,-0.7 -26,-0.2 1,-0.1 3,-0.1 -0.598 59.8-144.1-107.4 166.5 20.4 9.8 50.4 31 31 A T S S+ 0 0 52 -28,-2.0 39,-2.1 1,-0.3 2,-0.4 0.757 93.7 26.1 -94.6 -33.1 20.3 9.1 54.1 32 32 A H E -bc 4 70A 20 -29,-2.0 -27,-3.4 37,-0.2 2,-0.5 -0.996 65.6-165.7-133.7 135.4 19.0 5.6 53.5 33 33 A V E -bc 5 71A 3 37,-2.2 39,-2.1 -2,-0.4 2,-0.5 -0.987 9.4-158.0-122.9 125.4 19.5 3.3 50.5 34 34 A I E -bc 6 72A 0 -29,-2.7 -27,-2.9 -2,-0.5 2,-0.5 -0.902 8.3-144.1-107.5 129.5 17.3 0.1 50.2 35 35 A Y E -bc 7 73A 0 37,-2.5 39,-3.0 -2,-0.5 2,-0.4 -0.792 28.9-120.3 -91.9 127.5 18.4 -2.8 48.0 36 36 A S E +bc 8 74A 0 -29,-2.5 -27,-2.8 -2,-0.5 -26,-0.2 -0.971 65.7 9.0-119.4 131.4 15.5 -4.5 46.2 37 37 A F E + 0 0 23 37,-0.6 2,-0.2 -2,-0.4 38,-0.2 0.676 44.0 177.9-134.3 162.3 14.7 -7.3 46.5 38 38 A A E - c 0 75A 0 36,-2.9 38,-1.5 -3,-0.2 9,-0.2 -0.636 27.6-138.8 -97.9 163.0 15.6 -10.3 48.8 39 39 A N E -I 46 0B 31 7,-2.6 7,-2.6 -2,-0.2 2,-0.4 -0.589 4.8-126.9-116.1 175.5 13.9 -13.6 48.4 40 40 A I E +I 45 0B 8 5,-0.2 2,-0.4 -2,-0.2 5,-0.2 -0.970 28.2 170.8-130.0 116.5 12.5 -16.2 50.8 41 41 A S E > S-I 44 0B 39 3,-2.5 3,-1.3 -2,-0.4 -2,-0.0 -0.994 72.8 -4.5-127.3 131.3 13.5 -19.9 50.4 42 42 A N T 3 S- 0 0 150 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.891 130.2 -59.8 54.0 41.2 12.7 -22.6 53.0 43 43 A N T 3 S+ 0 0 61 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.722 117.0 110.3 59.6 27.3 11.1 -19.9 55.1 44 44 A E E < S-I 41 0B 101 -3,-1.3 -3,-2.5 57,-0.1 -1,-0.2 -0.961 77.4-102.3-131.1 147.4 14.4 -18.0 55.3 45 45 A I E +I 40 0B 8 53,-0.4 2,-0.3 -2,-0.3 -5,-0.2 -0.421 52.1 171.7 -65.1 141.1 15.6 -14.7 53.9 46 46 A D E -I 39 0B 63 -7,-2.6 -7,-2.6 -2,-0.1 2,-0.0 -0.934 34.8 -90.0-147.8 168.2 17.8 -15.4 50.9 47 47 A T - 0 0 40 -2,-0.3 -9,-0.1 -9,-0.2 3,-0.1 -0.256 27.3-162.2 -74.1 168.2 19.6 -13.7 48.0 48 48 A W + 0 0 100 1,-0.3 2,-0.2 -11,-0.1 -1,-0.1 0.721 66.7 51.4-118.0 -58.0 17.9 -13.2 44.6 49 49 A E S > S- 0 0 29 -12,-0.2 3,-1.8 1,-0.1 4,-0.3 -0.558 86.3-115.3 -84.7 152.0 20.4 -12.5 41.9 50 50 A W T 3 S+ 0 0 207 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 0.789 115.7 40.6 -56.0 -31.3 23.4 -14.8 41.4 51 51 A N T 3> S+ 0 0 16 1,-0.2 4,-2.4 2,-0.1 3,-0.4 0.119 76.3 118.0-108.4 23.5 25.8 -12.0 42.3 52 52 A D H <> S+ 0 0 1 -3,-1.8 4,-4.1 1,-0.2 5,-0.3 0.892 72.7 56.1 -56.9 -43.7 23.9 -10.4 45.2 53 53 A V H > S+ 0 0 76 -4,-0.3 4,-1.8 -3,-0.2 -1,-0.2 0.895 111.0 46.3 -58.0 -36.4 26.6 -11.0 47.8 54 54 A T H > S+ 0 0 86 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.937 116.8 43.0 -69.0 -46.5 29.0 -9.1 45.5 55 55 A L H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.882 110.5 55.9 -67.1 -38.0 26.5 -6.3 44.9 56 56 A Y H X S+ 0 0 0 -4,-4.1 4,-2.3 1,-0.2 -1,-0.2 0.942 110.2 47.8 -55.1 -48.3 25.6 -6.2 48.6 57 57 A D H X S+ 0 0 105 -4,-1.8 4,-0.8 -5,-0.3 -2,-0.2 0.887 109.9 50.9 -60.3 -44.4 29.3 -5.7 49.3 58 58 A T H < S+ 0 0 38 -4,-2.1 4,-0.5 1,-0.2 3,-0.4 0.895 111.9 47.4 -62.4 -43.1 29.7 -3.0 46.7 59 59 A L H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 4,-0.2 0.912 110.5 51.1 -65.5 -45.0 26.7 -1.0 48.1 60 60 A N H >< S+ 0 0 20 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.617 95.7 69.6 -72.4 -11.1 27.8 -1.3 51.7 61 61 A T G >< S+ 0 0 58 -4,-0.8 3,-2.7 -3,-0.4 4,-0.4 0.749 82.0 76.0 -75.9 -21.3 31.3 -0.0 50.9 62 62 A L G X> S+ 0 0 8 -3,-1.2 4,-1.9 -4,-0.5 3,-1.2 0.774 82.5 67.7 -57.7 -25.6 29.6 3.4 50.3 63 63 A K G <4 S+ 0 0 42 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.591 85.6 68.9 -71.6 -9.2 29.5 3.7 54.0 64 64 A N G <4 S+ 0 0 136 -3,-2.7 -1,-0.3 1,-0.1 -2,-0.2 0.748 108.2 37.5 -77.3 -23.9 33.3 3.9 54.1 65 65 A R T <4 S+ 0 0 155 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.1 0.828 130.0 29.5 -92.5 -38.8 32.8 7.3 52.4 66 66 A N >< - 0 0 18 -4,-1.9 3,-1.1 1,-0.1 -1,-0.3 -0.902 65.0-173.4-126.1 99.1 29.7 8.4 54.3 67 67 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.679 84.8 60.2 -63.8 -20.6 29.6 6.8 57.8 68 68 A K T 3 S+ 0 0 174 -3,-0.1 -5,-0.1 2,-0.1 -40,-0.0 0.697 79.3 110.9 -82.0 -21.0 26.1 8.2 58.4 69 69 A L < - 0 0 3 -3,-1.1 2,-0.4 -7,-0.1 -37,-0.2 -0.248 53.3-157.9 -57.4 136.3 24.6 6.3 55.5 70 70 A K E -c 32 0A 51 -39,-2.1 -37,-2.2 41,-0.0 2,-0.4 -0.953 4.2-161.5-118.8 138.5 22.2 3.6 56.4 71 71 A T E -c 33 0A 0 -2,-0.4 41,-2.6 -39,-0.2 42,-0.6 -0.915 6.0-173.4-120.5 148.0 21.4 0.6 54.2 72 72 A L E -cd 34 113A 0 -39,-2.1 -37,-2.5 -2,-0.4 2,-0.5 -0.943 20.0-133.5-134.3 157.1 18.4 -1.8 54.3 73 73 A L E -cd 35 114A 0 40,-2.0 42,-2.9 -2,-0.3 2,-0.4 -0.954 22.0-143.8-111.8 128.4 17.5 -4.9 52.4 74 74 A S E -cd 36 115A 0 -39,-3.0 -36,-2.9 -2,-0.5 -37,-0.6 -0.781 8.6-155.0 -96.2 135.1 14.0 -5.1 51.1 75 75 A V E +cd 38 116A 0 40,-3.1 42,-2.7 -2,-0.4 2,-0.6 -0.907 61.7 12.6-108.7 134.9 12.0 -8.4 51.1 76 76 A G E + d 0 117A 1 -38,-1.5 3,-0.2 -2,-0.4 42,-0.2 -0.929 62.4 177.5 113.7-121.6 9.2 -9.1 48.7 77 77 A G - 0 0 1 40,-2.2 42,-0.4 -2,-0.6 3,-0.3 -0.308 53.8 -67.4 100.2 172.7 8.5 -6.8 45.7 78 78 A W S S+ 0 0 174 1,-0.2 -1,-0.2 -2,-0.1 40,-0.0 0.755 130.1 52.8 -73.8 -23.4 5.9 -7.0 43.0 79 79 A N S S+ 0 0 149 -3,-0.2 2,-0.5 2,-0.1 -1,-0.2 0.673 91.6 83.5 -84.5 -17.8 7.4 -10.1 41.3 80 80 A F S S- 0 0 2 -3,-0.3 39,-0.3 -4,-0.1 5,-0.1 -0.755 95.2-111.8 -84.5 120.4 7.4 -12.1 44.6 81 81 A G >> - 0 0 15 -2,-0.5 4,-1.0 1,-0.1 3,-0.8 -0.351 11.5-140.4 -62.3 134.6 3.9 -13.5 45.0 82 82 A P H 3> S+ 0 0 39 0, 0.0 4,-2.9 0, 0.0 -1,-0.1 0.789 102.1 65.3 -61.5 -28.7 1.7 -12.1 47.8 83 83 A E H 3> S+ 0 0 123 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.870 96.9 56.0 -61.5 -37.5 0.4 -15.6 48.5 84 84 A R H <> S+ 0 0 95 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.915 109.7 43.7 -62.1 -44.0 4.0 -16.5 49.5 85 85 A F H X S+ 0 0 3 -4,-1.0 4,-2.6 1,-0.2 5,-0.2 0.944 113.9 52.9 -65.0 -45.0 4.1 -13.8 52.1 86 86 A S H X S+ 0 0 28 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.892 108.0 49.6 -55.9 -44.5 0.6 -14.7 53.2 87 87 A K H X S+ 0 0 136 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.909 113.0 46.5 -63.7 -43.7 1.5 -18.4 53.7 88 88 A I H < S+ 0 0 14 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.902 114.4 45.6 -66.5 -43.8 4.6 -17.6 55.8 89 89 A A H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.768 102.9 65.2 -73.4 -26.4 3.0 -15.0 58.0 90 90 A S H < S+ 0 0 47 -4,-1.7 2,-0.6 -5,-0.2 -1,-0.2 0.737 94.7 60.6 -69.3 -27.5 -0.2 -17.1 58.7 91 91 A K S >X S- 0 0 82 -4,-0.7 4,-2.4 -3,-0.5 3,-0.6 -0.920 73.1-147.0-109.7 117.0 1.6 -19.9 60.6 92 92 A T H 3> S+ 0 0 98 -2,-0.6 4,-1.8 1,-0.2 5,-0.1 0.772 98.7 54.6 -49.4 -31.5 3.4 -19.0 63.8 93 93 A Q H 3> S+ 0 0 115 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.904 111.7 39.6 -73.1 -43.5 6.0 -21.7 63.1 94 94 A S H <> S+ 0 0 5 -3,-0.6 4,-1.6 2,-0.2 -2,-0.2 0.806 116.0 54.3 -75.7 -27.5 7.0 -20.6 59.6 95 95 A R H X S+ 0 0 16 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.904 107.8 47.7 -70.8 -43.6 6.8 -16.9 60.7 96 96 A R H X S+ 0 0 129 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.843 109.7 54.6 -67.6 -33.0 9.2 -17.4 63.6 97 97 A T H X S+ 0 0 34 -4,-1.3 4,-1.1 2,-0.2 -1,-0.2 0.915 110.5 45.2 -66.5 -42.7 11.6 -19.3 61.3 98 98 A F H >X S+ 0 0 0 -4,-1.6 4,-1.0 1,-0.2 3,-0.8 0.956 111.4 53.1 -64.1 -50.4 11.7 -16.4 58.9 99 99 A I H >< S+ 0 0 7 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.882 108.6 49.6 -49.8 -49.1 12.1 -13.8 61.7 100 100 A K H 3< S+ 0 0 128 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.728 105.3 56.6 -66.7 -26.7 15.1 -15.7 63.2 101 101 A S H S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.894 111.9 48.5 -49.3 -47.5 19.3 -10.6 61.8 104 104 A P H > S+ 0 0 74 0, 0.0 4,-2.5 0, 0.0 -2,-0.2 0.889 113.0 48.7 -60.5 -39.5 22.2 -13.0 61.0 105 105 A F H X S+ 0 0 32 -4,-1.2 4,-1.9 -3,-0.4 6,-0.2 0.925 111.8 48.1 -65.7 -47.7 21.8 -12.4 57.3 106 106 A L H X>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-0.6 0.906 113.7 48.5 -60.9 -40.7 21.7 -8.7 57.7 107 107 A R H ><5S+ 0 0 75 -4,-2.5 3,-0.9 -5,-0.3 -2,-0.2 0.923 107.6 53.7 -67.9 -43.1 24.7 -8.8 59.9 108 108 A T H 3<5S+ 0 0 109 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.903 117.1 37.5 -58.3 -41.7 26.8 -11.0 57.6 109 109 A H H 3<5S- 0 0 42 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.396 114.2-110.8 -95.6 4.6 26.2 -8.7 54.6 110 110 A G T <<5 + 0 0 31 -3,-0.9 2,-0.2 -4,-0.6 -3,-0.2 0.763 60.1 152.3 77.6 27.8 26.4 -5.4 56.5 111 111 A F < - 0 0 3 -5,-2.4 -1,-0.2 -6,-0.2 -39,-0.2 -0.631 39.1-151.3 -90.3 150.4 22.9 -4.1 56.3 112 112 A D S S- 0 0 30 -41,-2.6 40,-2.5 -2,-0.2 2,-0.3 0.462 71.1 -12.5 -97.4 -4.3 21.4 -1.8 59.0 113 113 A G E -de 72 152A 0 -42,-0.6 -40,-2.0 38,-0.3 2,-0.4 -0.997 61.2-100.3-176.3 179.2 17.9 -3.0 58.5 114 114 A L E -de 73 153A 0 38,-2.5 40,-2.3 -2,-0.3 2,-0.5 -0.970 20.9-156.6-123.3 134.4 15.1 -4.8 56.8 115 115 A D E -de 74 154A 0 -42,-2.9 -40,-3.1 -2,-0.4 2,-0.6 -0.945 12.7-143.8-112.8 126.6 12.4 -3.3 54.6 116 116 A L E +de 75 155A 6 38,-2.7 40,-2.6 -2,-0.5 2,-0.2 -0.796 19.9 176.0 -93.2 118.8 9.1 -5.2 54.2 117 117 A A E +d 76 0A 3 -42,-2.7 -40,-2.2 -2,-0.6 2,-0.8 -0.529 11.0 162.0-119.9 63.6 7.5 -5.0 50.7 118 118 A W - 0 0 9 -2,-0.2 2,-0.4 38,-0.2 -40,-0.1 -0.762 30.2-147.8 -83.1 113.5 4.4 -7.3 50.9 119 119 A L - 0 0 21 -2,-0.8 38,-0.0 -42,-0.4 -2,-0.0 -0.828 70.0 -1.2-129.3 96.5 2.3 -6.2 48.0 120 120 A Y - 0 0 64 -2,-0.4 -1,-0.3 -38,-0.1 2,-0.2 0.567 56.1-164.3-137.6 161.9 -0.3 -6.6 49.0 121 121 A P - 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0 0 7 -11,-1.3 2,-0.4 -2,-0.6 -66,-0.1 -0.741 45.3-110.5-141.5-172.6 5.9 11.7 34.6 307 308 A D - 0 0 2 -2,-0.2 2,-0.2 -13,-0.1 -13,-0.1 -0.992 27.9-172.9-128.4 132.3 7.5 13.9 37.2 308 309 A D > - 0 0 24 -2,-0.4 4,-2.5 42,-0.0 5,-0.2 -0.544 47.3 -81.7-114.5-174.1 10.1 16.6 36.6 309 310 A Q H > S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.867 127.9 48.9 -57.6 -36.5 12.3 18.7 38.9 310 311 A E H > S+ 0 0 114 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.952 112.1 44.3 -69.2 -50.9 9.4 21.1 39.5 311 312 A S H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.904 116.2 50.3 -61.5 -37.3 6.7 18.6 40.3 312 313 A V H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.870 110.6 46.9 -68.5 -37.8 9.2 16.8 42.5 313 314 A K H X S+ 0 0 67 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.883 111.4 54.0 -70.3 -35.8 10.3 20.0 44.4 314 315 A N H X S+ 0 0 30 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.909 108.3 47.5 -63.3 -44.2 6.6 20.8 44.8 315 316 A K H X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.854 110.1 54.1 -66.4 -34.4 5.9 17.4 46.4 316 317 A A H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.865 108.5 47.8 -67.8 -37.8 8.9 17.8 48.7 317 318 A R H X S+ 0 0 89 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.907 110.3 53.2 -68.5 -41.6 7.6 21.2 49.9 318 319 A Y H X S+ 0 0 22 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.944 108.1 50.2 -54.8 -52.2 4.2 19.7 50.5 319 320 A L H <>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 -1,-0.2 0.844 112.2 47.5 -56.2 -39.4 5.8 16.9 52.6 320 321 A K H ><5S+ 0 0 21 -4,-1.6 3,-1.7 3,-0.2 -1,-0.2 0.914 107.9 54.8 -70.3 -43.7 7.7 19.4 54.7 321 322 A N H 3<5S+ 0 0 135 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.772 110.1 47.0 -61.2 -28.2 4.6 21.6 55.2 322 323 A R T 3<5S- 0 0 89 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.403 113.6-123.7 -93.0 1.5 2.8 18.6 56.6 323 324 A Q T < 5 + 0 0 146 -3,-1.7 -3,-0.2 -5,-0.2 -2,-0.1 0.855 48.0 168.3 61.2 40.5 5.8 17.8 58.8 324 325 A L < - 0 0 4 -5,-2.6 -94,-0.2 1,-0.1 -91,-0.1 -0.352 49.6-106.4 -80.0 165.7 6.4 14.2 57.5 325 326 A A S S- 0 0 12 -96,-1.5 -323,-2.3 -93,-1.5 2,-0.3 0.764 75.1 -84.4 -62.8 -27.0 9.5 12.3 58.3 326 327 A G E -ah 2 233A 0 -94,-1.0 -92,-2.0 -325,-0.2 2,-0.3 -0.999 52.7 -50.8 158.1-156.9 10.8 12.7 54.7 327 328 A A E -ah 3 234A 0 -325,-2.3 -323,-2.8 -2,-0.3 2,-0.4 -0.848 28.4-152.4-121.1 156.1 10.7 11.4 51.2 328 329 A M E -ah 4 235A 0 -94,-2.5 -92,-3.0 -2,-0.3 2,-0.5 -0.987 13.5-154.6-126.2 134.7 11.2 8.0 49.5 329 330 A V E -ah 5 236A 2 -325,-3.2 -323,-2.4 -2,-0.4 2,-0.5 -0.947 8.1-139.4-117.9 129.4 12.5 7.7 45.9 330 331 A W E S- h 0 237A 40 -94,-1.6 -92,-2.2 -2,-0.5 -91,-0.4 -0.965 75.5 -0.4-125.8 108.7 11.8 4.8 43.6 331 332 A A >> - 0 0 0 -2,-0.5 3,-2.4 -325,-0.4 4,-0.7 0.645 37.3-169.1-145.9 156.6 14.3 4.4 42.2 332 333 A L G >4 S+ 0 0 1 -326,-2.6 3,-0.9 -3,-0.4 5,-0.2 0.832 100.5 55.4 -47.9 -41.1 17.9 5.6 41.9 333 334 A D G 34 S+ 0 0 0 -327,-0.4 -1,-0.3 1,-0.2 4,-0.1 0.560 104.8 53.4 -73.4 -8.0 18.6 3.6 38.8 334 335 A L G <4 S+ 0 0 10 -3,-2.4 -60,-2.0 -61,-0.1 -59,-0.9 0.531 94.6 82.7-101.2 -9.6 15.6 5.1 37.0 335 336 A D S << S- 0 0 0 -3,-0.9 2,-2.4 -4,-0.7 3,-0.2 -0.366 109.4 -86.0 -81.9 169.6 16.9 8.7 37.7 336 337 A D + 0 0 1 1,-0.2 12,-2.3 -2,-0.1 3,-0.2 -0.530 61.4 168.5 -78.3 77.6 19.5 10.1 35.3 337 338 A F S S+ 0 0 8 -2,-2.4 -1,-0.2 1,-0.2 -4,-0.1 0.758 72.8 47.7 -66.1 -25.5 22.3 8.5 37.4 338 339 A R S S- 0 0 101 -3,-0.2 -1,-0.2 9,-0.1 9,-0.1 0.752 99.0-138.1 -84.7 -25.1 25.0 9.1 34.8 339 340 A G S S+ 0 0 6 -3,-0.2 -2,-0.1 7,-0.1 8,-0.1 0.659 75.5 105.9 76.7 17.1 23.9 12.7 34.4 340 341 A T + 0 0 95 5,-0.1 5,-0.1 2,-0.1 7,-0.1 0.313 68.2 51.7-111.5 7.1 24.3 12.4 30.6 341 342 A F S S+ 0 0 39 3,-0.1 3,-0.1 1,-0.1 -1,-0.1 0.726 98.8 55.6-111.7 -31.9 20.7 12.2 29.3 342 343 A b S S- 0 0 12 2,-0.2 2,-1.1 4,-0.2 -2,-0.1 0.152 98.7-114.3 -95.4 21.6 18.8 15.2 30.7 343 344 A G S S+ 0 0 58 1,-0.1 -1,-0.2 2,-0.0 -65,-0.0 -0.765 89.4 88.7 88.5-102.7 20.8 18.2 29.7 344 345 A Q S S- 0 0 89 -2,-1.1 2,-0.5 1,-0.2 -2,-0.2 0.058 83.0-127.3 -31.1 128.4 22.1 19.6 33.0 345 346 A N S S+ 0 0 167 -5,-0.1 2,-0.4 -3,-0.1 -1,-0.2 0.052 71.6 129.6 -74.4 32.0 25.4 17.9 33.7 346 347 A L - 0 0 67 -2,-0.5 2,-0.3 -7,-0.0 -4,-0.2 -0.760 57.0-136.2 -93.2 129.8 23.8 17.2 37.1 347 348 A T S S+ 0 0 53 -2,-0.4 -10,-0.2 1,-0.2 5,-0.1 -0.631 86.0 6.2 -83.5 140.5 23.9 13.6 38.3 348 349 A F S > S+ 0 0 2 -12,-2.3 4,-2.5 -2,-0.3 -1,-0.2 0.955 76.3 179.8 51.3 58.4 20.6 12.3 39.8 349 350 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.888 74.9 45.2 -57.4 -42.8 18.6 15.4 38.9 350 351 A L H > S+ 0 0 3 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.957 116.4 43.4 -68.1 -49.5 15.3 14.2 40.3 351 352 A T H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.866 114.0 52.8 -65.2 -34.6 16.7 12.9 43.6 352 353 A S H X S+ 0 0 17 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.874 104.1 55.3 -66.5 -40.0 18.9 16.0 44.0 353 354 A A H X S+ 0 0 2 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.863 110.1 47.0 -62.2 -35.5 16.0 18.4 43.5 354 355 A V H X S+ 0 0 1 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.950 111.8 50.1 -69.8 -48.4 14.2 16.6 46.4 355 356 A K H X S+ 0 0 74 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.870 107.5 54.1 -56.8 -42.7 17.3 16.7 48.6 356 357 A D H X S+ 0 0 98 -4,-2.7 4,-0.7 2,-0.2 -1,-0.2 0.904 111.2 45.2 -60.7 -42.4 17.8 20.5 47.9 357 358 A V H >< S+ 0 0 1 -4,-1.4 3,-1.0 1,-0.2 -2,-0.2 0.924 112.2 51.1 -67.7 -43.9 14.3 21.2 49.0 358 359 A L H >< S+ 0 0 15 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.832 106.5 57.4 -61.2 -31.9 14.6 19.0 52.1 359 360 A A H 3< S+ 0 0 82 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.664 89.7 70.5 -75.6 -18.2 17.8 20.7 53.1 360 361 A R T << 0 0 145 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.1 0.361 360.0 360.0 -83.6 8.3 16.4 24.3 53.3 361 362 A V < 0 0 143 -3,-0.9 -1,-0.1 -4,-0.1 -3,-0.1 -0.245 360.0 360.0 87.4 360.0 14.4 23.5 56.5