==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 27-JAN-09 2ZYM . COMPND 2 MOLECULE: SOLUTE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOACTINOMYCES VULGARIS; . AUTHOR M.MATSUMOTO,M.YAMADA,Y.KURAKATA,H.YOSHIDA,S.KAMITORI, . 381 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16895.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 10.0 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 0.5 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 . 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 . 23 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.4 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 3 0 3 0 1 1 1 4 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 0 0 PARALLEL BRIDGES PER LADDER . 4 2 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 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 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 17 A K 0 0 234 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 120.8 -7.1 18.4 36.2 2 18 A P - 0 0 106 0, 0.0 2,-0.1 0, 0.0 31,-0.1 -0.398 360.0 -87.2 -65.8 146.7 -6.7 14.6 36.7 3 19 A D + 0 0 57 -2,-0.1 31,-1.9 29,-0.0 2,-0.4 -0.317 50.6 179.4 -62.1 129.5 -3.1 13.4 36.8 4 20 A K E -a 34 0A 95 29,-0.2 2,-0.3 -3,-0.1 31,-0.2 -0.999 10.5-164.9-132.3 136.5 -1.6 12.5 33.4 5 21 A L E -a 35 0A 1 29,-2.7 31,-2.5 -2,-0.4 2,-0.4 -0.902 10.3-145.7-115.4 149.9 1.9 11.2 32.6 6 22 A V E -a 36 0A 34 -2,-0.3 54,-2.3 29,-0.2 55,-1.8 -0.965 14.4-171.3-117.5 131.9 3.5 11.1 29.1 7 23 A V E -ab 37 61A 0 29,-3.1 31,-3.4 -2,-0.4 2,-0.6 -0.978 12.9-149.8-124.2 131.5 5.8 8.3 28.0 8 24 A W E +a 38 0A 8 53,-2.4 2,-0.3 -2,-0.4 29,-0.1 -0.914 22.1 176.2-100.5 118.9 8.0 8.1 24.9 9 25 A E E -a 39 0A 0 29,-1.9 31,-2.8 -2,-0.6 8,-0.1 -0.867 43.3 -76.9-116.0 153.4 8.6 4.5 23.6 10 26 A N - 0 0 33 -2,-0.3 2,-1.9 29,-0.2 31,-0.3 -0.176 41.4-125.0 -47.8 133.1 10.4 3.4 20.5 11 27 A A + 0 0 49 1,-0.2 30,-0.1 28,-0.1 -1,-0.1 -0.435 61.6 136.8 -83.9 64.5 8.3 3.9 17.3 12 28 A D - 0 0 51 -2,-1.9 3,-0.2 28,-0.1 -1,-0.2 0.398 59.6-136.9 -89.3 2.0 8.6 0.2 16.1 13 29 A D S S+ 0 0 156 1,-0.2 2,-0.1 -3,-0.2 -2,-0.1 0.811 81.4 50.0 44.3 34.6 4.8 0.1 15.2 14 30 A G S > S- 0 0 31 286,-0.0 4,-2.5 0, 0.0 -1,-0.2 -0.442 107.2 -6.8-158.5-133.5 5.0 -3.3 16.9 15 31 A V H > S+ 0 0 47 -3,-0.2 4,-2.2 1,-0.2 5,-0.2 0.813 121.6 47.8 -64.6 -41.6 6.1 -5.3 19.9 16 32 A Q H > S+ 0 0 8 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.939 116.0 43.9 -67.3 -48.2 8.0 -2.7 21.9 17 33 A L H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.916 114.8 49.9 -61.3 -45.3 5.3 -0.1 21.7 18 34 A N H X S+ 0 0 88 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.892 108.9 51.3 -63.2 -42.7 2.5 -2.5 22.4 19 35 A N H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.908 111.7 46.4 -61.4 -44.5 4.2 -4.0 25.5 20 36 A T H X S+ 0 0 3 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.889 110.9 53.4 -66.8 -39.2 4.8 -0.6 27.0 21 37 A K H X S+ 0 0 92 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.903 108.6 51.6 -57.6 -43.3 1.2 0.4 26.2 22 38 A K H X S+ 0 0 86 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.978 113.7 40.7 -56.2 -60.6 0.0 -2.8 28.0 23 39 A W H X S+ 0 0 33 -4,-2.2 4,-1.5 1,-0.3 -1,-0.2 0.784 112.7 53.7 -68.4 -29.9 1.9 -2.1 31.2 24 40 A A H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -1,-0.3 0.898 106.8 54.6 -64.6 -40.7 1.2 1.6 31.3 25 41 A G H X S+ 0 0 34 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.859 107.2 50.2 -58.7 -37.8 -2.5 0.6 31.0 26 42 A E H X S+ 0 0 65 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.814 108.0 52.8 -70.5 -33.6 -2.0 -1.6 34.1 27 43 A F H X S+ 0 0 4 -4,-1.5 4,-3.0 2,-0.2 6,-0.4 0.914 110.9 46.6 -66.4 -44.4 -0.4 1.3 36.0 28 44 A T H X S+ 0 0 24 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.899 109.9 54.5 -61.5 -42.6 -3.4 3.5 35.2 29 45 A K H < S+ 0 0 157 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.854 117.2 37.6 -58.3 -37.5 -5.8 0.6 36.2 30 46 A K H < S+ 0 0 157 -4,-1.5 -2,-0.2 3,-0.1 -1,-0.2 0.892 130.2 24.7 -81.3 -45.1 -4.0 0.5 39.5 31 47 A T H < S- 0 0 48 -4,-3.0 -3,-0.2 2,-0.2 -2,-0.2 0.650 90.3-125.6-103.7 -20.2 -3.3 4.1 40.3 32 48 A G < + 0 0 52 -4,-2.4 2,-0.6 -5,-0.4 -4,-0.2 0.333 67.8 131.4 83.9 -6.9 -5.9 6.1 38.4 33 49 A I - 0 0 14 -6,-0.4 -1,-0.3 -31,-0.1 -2,-0.2 -0.711 58.5-130.2 -80.4 118.3 -3.1 8.2 36.8 34 50 A Q E -a 4 0A 108 -31,-1.9 -29,-2.7 -2,-0.6 2,-0.4 -0.437 23.4-162.9 -66.1 138.3 -3.7 8.3 33.0 35 51 A V E -a 5 0A 25 -31,-0.2 2,-0.6 -2,-0.1 -29,-0.2 -0.990 7.2-159.9-129.5 123.1 -0.6 7.4 31.0 36 52 A E E -a 6 0A 92 -31,-2.5 -29,-3.1 -2,-0.4 2,-0.7 -0.913 6.4-156.4-102.2 120.7 -0.1 8.2 27.3 37 53 A V E -a 7 0A 8 -2,-0.6 -29,-0.2 -31,-0.2 -16,-0.1 -0.884 14.1-168.6 -97.5 111.9 2.4 6.1 25.5 38 54 A V E -a 8 0A 40 -31,-3.4 -29,-1.9 -2,-0.7 2,-0.6 -0.879 20.8-126.1-105.6 124.5 3.6 8.1 22.5 39 55 A P E +a 9 0A 63 0, 0.0 2,-0.4 0, 0.0 -29,-0.2 -0.616 38.7 162.7 -72.7 118.3 5.8 6.4 19.8 40 56 A V - 0 0 16 -31,-2.8 5,-0.2 -2,-0.6 -28,-0.1 -0.987 47.9-102.0-132.7 125.7 9.0 8.3 19.2 41 57 A A >> - 0 0 38 -2,-0.4 3,-2.3 -31,-0.3 4,-0.9 -0.183 31.6-126.9 -47.6 129.3 11.9 6.7 17.4 42 58 A L G >4 S+ 0 0 19 1,-0.3 3,-0.6 2,-0.2 4,-0.4 0.835 107.6 48.4 -52.6 -42.2 14.5 5.7 20.1 43 59 A L G 34 S+ 0 0 139 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.399 112.1 51.0 -83.7 3.7 17.4 7.5 18.4 44 60 A K G <> S+ 0 0 142 -3,-2.3 4,-2.0 2,-0.1 -1,-0.2 0.505 86.8 85.8-109.2 -12.4 15.3 10.6 18.0 45 61 A Q H S+ 0 0 3 -4,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.917 113.6 45.6 -69.8 -43.7 17.1 12.8 23.0 47 63 A E H > S+ 0 0 104 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.848 112.7 51.9 -65.8 -35.9 17.0 15.5 20.3 48 64 A K H X S+ 0 0 85 -4,-2.0 4,-3.2 1,-0.2 3,-0.4 0.884 109.7 48.0 -68.5 -39.6 13.2 15.8 20.7 49 65 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.796 101.5 65.8 -69.9 -29.4 13.6 16.3 24.4 50 66 A T H < S+ 0 0 48 -4,-1.6 -1,-0.2 3,-0.2 -2,-0.2 0.847 117.8 25.6 -57.8 -35.4 16.3 18.9 23.7 51 67 A L H X S+ 0 0 105 -4,-0.9 4,-1.1 -3,-0.4 -2,-0.2 0.900 128.4 40.7 -92.8 -54.3 13.5 21.0 22.1 52 68 A D H <>S+ 0 0 41 -4,-3.2 5,-2.9 2,-0.2 6,-1.2 0.787 105.7 67.4 -70.3 -31.2 10.3 19.9 23.8 53 69 A G T ><5S+ 0 0 1 -4,-1.8 3,-2.2 -5,-0.3 5,-0.4 0.980 107.9 34.1 -51.2 -72.2 11.8 19.6 27.3 54 70 A P T 345S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.775 114.2 62.8 -55.0 -27.5 12.4 23.4 27.8 55 71 A A T 3<5S- 0 0 68 -4,-1.1 -2,-0.2 -6,-0.2 -3,-0.1 0.550 112.5-121.2 -74.9 -8.3 9.2 24.0 25.8 56 72 A G T < 5S+ 0 0 59 -3,-2.2 -3,-0.2 -4,-0.5 -4,-0.1 0.706 91.2 100.1 73.7 22.2 7.2 22.2 28.4 57 73 A K < + 0 0 162 -5,-2.9 -4,-0.2 -6,-0.1 -5,-0.1 0.333 52.5 116.5-115.5 1.0 6.0 19.7 25.9 58 74 A G - 0 0 22 -6,-1.2 -52,-0.1 -5,-0.4 2,-0.1 -0.227 68.2-101.5 -74.1 160.4 8.3 16.8 26.7 59 75 A A - 0 0 1 1,-0.1 214,-0.2 -54,-0.1 -52,-0.2 -0.332 17.5-132.6 -72.0 160.1 7.5 13.4 28.1 60 76 A D S S+ 0 0 12 -54,-2.3 211,-2.3 1,-0.2 2,-0.4 0.893 96.0 35.9 -77.6 -45.9 7.9 12.5 31.7 61 77 A L E S+bC 7 270A 0 -55,-1.8 -53,-2.4 209,-0.2 2,-0.3 -0.936 72.3 171.5-113.4 133.6 9.6 9.2 30.9 62 78 A V E - C 0 269A 0 207,-2.1 207,-3.2 -2,-0.4 2,-0.3 -0.794 13.1-153.0-130.0 172.0 12.0 8.8 28.0 63 79 A T E + C 0 268A 0 -2,-0.3 -18,-0.2 205,-0.2 205,-0.2 -0.979 23.8 138.8-154.4 136.1 14.3 6.0 26.7 64 80 A W E - C 0 267A 5 203,-0.6 203,-0.8 -2,-0.3 -21,-0.1 -0.949 58.3 -65.6-162.8 164.8 17.5 5.6 24.7 65 81 A P E > - C 0 266A 14 0, 0.0 3,-1.3 0, 0.0 201,-0.2 -0.296 49.6-117.0 -59.1 144.4 20.8 3.6 24.7 66 82 A H G > S+ 0 0 1 199,-2.2 3,-2.1 1,-0.3 4,-0.4 0.573 97.0 87.2 -62.1 -15.8 23.1 4.5 27.7 67 83 A D G 3 S+ 0 0 13 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.808 92.2 44.8 -59.7 -31.9 26.0 5.8 25.6 68 84 A R G <> S+ 0 0 59 -3,-1.3 4,-2.4 1,-0.2 -1,-0.3 0.173 83.9 102.6 -97.4 18.1 24.5 9.4 25.5 69 85 A L H <> S+ 0 0 0 -3,-2.1 4,-2.9 2,-0.2 5,-0.2 0.945 80.8 47.7 -64.2 -50.3 23.6 9.4 29.2 70 86 A G H > S+ 0 0 0 266,-1.5 4,-2.7 -4,-0.4 5,-0.2 0.907 113.1 49.7 -58.0 -44.8 26.6 11.6 30.2 71 87 A E H > S+ 0 0 19 266,-0.3 4,-2.2 -4,-0.3 -1,-0.2 0.936 111.8 48.5 -55.5 -50.8 25.8 14.0 27.4 72 88 A A H <>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 6,-0.5 0.900 112.6 47.6 -58.2 -45.0 22.1 14.1 28.4 73 89 A V H ><5S+ 0 0 25 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.932 112.1 49.4 -63.4 -47.6 23.0 14.8 32.1 74 90 A T H 3<5S+ 0 0 23 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.847 110.2 51.6 -58.7 -37.5 25.5 17.5 31.1 75 91 A K T 3<5S- 0 0 80 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.502 116.4-116.5 -79.7 -5.4 22.9 19.2 28.9 76 92 A G T < 5S+ 0 0 35 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.771 76.3 128.2 75.7 29.4 20.4 19.1 31.8 77 93 A L < + 0 0 3 -5,-2.7 195,-2.9 -6,-0.2 196,-0.5 0.794 64.7 40.3 -82.8 -31.9 17.9 16.8 30.1 78 94 A L E -D 271 0A 9 -6,-0.5 193,-0.2 193,-0.3 -2,-0.1 -0.879 61.9-151.7-126.8 151.1 17.5 14.2 32.9 79 95 A Q E -D 270 0A 50 191,-2.3 191,-0.5 -2,-0.3 194,-0.0 -0.896 36.0 -96.4-115.9 149.0 17.3 14.1 36.7 80 96 A P - 0 0 33 0, 0.0 2,-0.3 0, 0.0 26,-0.2 -0.270 41.6-121.2 -60.9 152.2 18.4 11.3 39.0 81 97 A I - 0 0 6 24,-2.5 2,-0.8 26,-0.1 24,-0.2 -0.752 10.6-138.0-103.0 144.6 15.7 8.9 40.1 82 98 A Q + 0 0 134 -2,-0.3 2,-0.3 24,-0.1 24,-0.0 -0.864 40.1 147.0-108.5 104.1 14.7 8.1 43.7 83 99 A V - 0 0 19 -2,-0.8 199,-0.0 202,-0.0 -2,-0.0 -0.940 47.6 -98.1-135.3 152.9 14.1 4.4 44.4 84 100 A D >> - 0 0 114 -2,-0.3 4,-1.7 1,-0.1 3,-0.6 -0.256 33.9-113.3 -65.9 157.4 14.6 2.1 47.4 85 101 A N H 3> S+ 0 0 111 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.818 118.2 60.3 -58.3 -33.8 17.7 -0.1 47.7 86 102 A S H 34 S+ 0 0 68 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.831 103.7 49.0 -64.4 -35.2 15.4 -3.1 47.2 87 103 A V H X4 S+ 0 0 23 -3,-0.6 3,-0.7 1,-0.2 -2,-0.2 0.888 113.6 46.2 -71.6 -41.5 14.4 -1.8 43.7 88 104 A K H >< S+ 0 0 85 -4,-1.7 3,-1.7 1,-0.2 -2,-0.2 0.884 104.4 62.2 -64.4 -42.4 18.0 -1.3 42.7 89 105 A N T 3< S+ 0 0 88 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.570 91.7 68.1 -63.6 -11.6 19.1 -4.7 44.0 90 106 A Q T < S+ 0 0 76 -3,-0.7 217,-2.2 -4,-0.3 218,-0.4 0.607 90.9 73.8 -84.8 -14.2 16.8 -6.4 41.5 91 107 A F B < S-F 306 0B 4 -3,-1.7 215,-0.3 215,-0.3 5,-0.0 -0.742 91.1 -91.9-108.0 152.5 18.8 -5.4 38.5 92 108 A D > - 0 0 40 213,-2.8 4,-2.1 -2,-0.3 5,-0.2 -0.225 30.5-125.8 -60.0 143.1 22.1 -6.5 37.1 93 109 A D H > S+ 0 0 115 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.908 107.7 50.5 -56.1 -51.4 25.3 -4.7 38.2 94 110 A V H > S+ 0 0 59 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.852 112.4 47.9 -58.5 -38.6 26.6 -3.9 34.6 95 111 A A H > S+ 0 0 0 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.880 110.8 50.7 -71.6 -38.7 23.2 -2.5 33.6 96 112 A M H < S+ 0 0 22 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.877 111.0 46.4 -69.6 -38.7 22.8 -0.3 36.7 97 113 A K H >< S+ 0 0 92 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.803 106.3 60.3 -75.0 -27.0 26.3 1.3 36.5 98 114 A A H 3< S+ 0 0 3 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.733 108.8 44.2 -66.2 -25.4 25.6 2.0 32.7 99 115 A L T 3< S+ 0 0 0 -4,-0.8 7,-3.0 -3,-0.4 2,-0.5 0.214 100.9 92.2-101.1 11.7 22.6 4.1 33.8 100 116 A T E < +G 105 0C 45 -3,-1.1 2,-0.4 5,-0.2 5,-0.2 -0.920 50.1 173.5-110.8 128.2 24.7 5.7 36.5 101 117 A Y E > -G 104 0C 66 3,-2.7 3,-1.5 -2,-0.5 -3,-0.0 -0.997 66.8 -2.3-137.1 134.1 26.6 9.0 35.9 102 118 A G T 3 S- 0 0 69 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.793 130.4 -56.3 60.3 31.0 28.6 11.1 38.4 103 119 A G T 3 S+ 0 0 76 1,-0.2 2,-0.4 -6,-0.1 -1,-0.3 0.517 117.3 112.0 79.5 7.9 27.6 8.8 41.2 104 120 A K E < -G 101 0C 108 -3,-1.5 -3,-2.7 -24,-0.0 2,-0.5 -0.911 65.9-129.4-118.7 140.3 23.9 9.2 40.5 105 121 A L E +G 100 0C 15 -2,-0.4 -24,-2.5 -5,-0.2 -5,-0.2 -0.768 23.0 178.9 -89.9 127.2 21.4 6.7 39.1 106 122 A Y - 0 0 16 -7,-3.0 164,-0.8 -2,-0.5 2,-0.3 0.470 56.9 -5.6-110.5 -5.1 19.4 8.0 36.1 107 123 A G E -E 269 0A 0 -8,-0.4 162,-0.2 -11,-0.2 -1,-0.1 -0.991 59.1-105.4-169.7 176.7 17.2 5.1 35.2 108 124 A L E -E 268 0A 0 160,-1.0 160,-2.4 -2,-0.3 2,-0.1 -0.971 47.2-111.9-116.9 136.2 16.0 1.5 35.5 109 125 A P E +E 267 0A 0 0, 0.0 158,-0.3 0, 0.0 3,-0.1 -0.369 33.0 173.5 -77.8 145.6 17.0 -0.9 32.8 110 126 A K E S+ 0 0 1 156,-3.4 2,-0.3 1,-0.4 157,-0.2 0.672 70.0 12.1-109.7 -35.5 14.7 -2.5 30.3 111 127 A A E -E 266 0A 0 155,-1.8 155,-2.6 193,-0.2 2,-0.4 -0.999 51.2-156.3-151.4 140.1 17.1 -4.3 28.0 112 128 A I E -E 265 0A 27 191,-2.7 191,-0.4 -2,-0.3 2,-0.4 -0.978 31.3-175.7-117.3 134.4 20.7 -5.3 27.7 113 129 A E E +E 264 0A 15 151,-3.0 151,-3.2 -2,-0.4 2,-0.3 -0.976 25.7 168.0-143.6 142.5 22.1 -5.9 24.2 114 130 A S - 0 0 1 -2,-0.4 214,-0.2 149,-0.2 149,-0.1 -0.981 37.2-115.0-141.3 145.0 24.9 -6.9 22.0 115 131 A V + 0 0 3 147,-0.4 117,-0.3 -2,-0.3 2,-0.2 -0.425 41.9 168.6 -67.3 153.8 25.0 -7.7 18.3 116 132 A A E -H 231 0D 0 115,-2.4 115,-1.6 134,-0.1 2,-0.8 -0.826 46.2 -69.5-147.7-173.4 25.8 -11.3 17.4 117 133 A L E -HI 230 249D 0 132,-3.2 132,-2.9 -2,-0.2 2,-0.6 -0.832 46.9-171.3 -89.1 111.3 25.7 -13.5 14.3 118 134 A I E -HI 229 248D 0 111,-2.7 111,-3.0 -2,-0.8 2,-0.3 -0.929 14.3-176.2-101.8 120.0 22.1 -14.1 13.4 119 135 A Y E -HI 228 247D 35 128,-2.3 128,-2.6 -2,-0.6 2,-0.8 -0.848 33.8-118.1-122.7 155.9 21.8 -16.7 10.7 120 136 A N E >> - 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D 0 78A 1 -211,-2.3 3,-1.5 -2,-0.6 -193,-0.3 -0.334 8.0-136.6 -59.9 136.5 13.1 14.1 32.3 272 288 A A T 3 S+ 0 0 41 -195,-2.9 -194,-0.2 1,-0.3 -1,-0.1 0.650 106.7 57.3 -65.4 -14.6 14.5 17.1 34.2 273 289 A Y T 3 S+ 0 0 95 -196,-0.5 -1,-0.3 -214,-0.2 -195,-0.1 0.400 76.3 130.2 -97.8 -1.0 11.5 19.0 33.0 274 290 A S < - 0 0 16 -3,-1.5 -214,-0.1 -214,-0.2 -215,-0.1 -0.325 46.4-158.9 -59.5 129.7 8.9 16.6 34.4 275 291 A K S S+ 0 0 147 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.527 91.8 43.2 -82.6 -8.1 6.2 18.3 36.4 276 292 A Y > + 0 0 73 1,-0.1 4,-2.5 2,-0.1 -1,-0.2 -0.449 61.8 154.2-137.7 61.6 5.5 15.0 38.2 277 293 A P H > S+ 0 0 48 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.810 76.3 54.2 -64.4 -31.8 8.8 13.3 39.1 278 294 A K H > S+ 0 0 139 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.956 114.1 39.2 -63.7 -52.7 7.2 11.4 42.0 279 295 A Y H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.878 115.3 52.4 -66.6 -41.0 4.5 9.8 39.9 280 296 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.894 108.0 51.0 -63.1 -42.5 6.7 9.2 36.9 281 297 A T H X S+ 0 0 12 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.865 108.8 52.4 -62.8 -37.8 9.3 7.4 39.0 282 298 A E H X S+ 0 0 71 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.899 109.9 48.7 -62.1 -41.9 6.5 5.2 40.4 283 299 A L H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.906 108.6 53.8 -63.5 -42.1 5.5 4.4 36.8 284 300 A M H X S+ 0 0 1 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.898 109.5 47.7 -59.3 -43.4 9.2 3.6 35.9 285 301 A Q H >< S+ 0 0 60 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.917 112.3 49.8 -61.4 -45.7 9.3 1.1 38.8 286 302 A F H >< S+ 0 0 41 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.882 109.4 51.4 -61.0 -41.5 6.0 -0.4 37.7 287 303 A L H 3< S+ 0 0 10 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.634 114.2 44.4 -70.8 -15.1 7.3 -0.7 34.1 288 304 A T T << S+ 0 0 1 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.149 81.1 126.6-121.1 17.6 10.5 -2.5 35.2 289 305 A S S <> S- 0 0 28 -3,-0.9 4,-2.8 -4,-0.2 5,-0.3 -0.240 76.6-104.1 -64.7 163.2 9.1 -5.0 37.8 290 306 A K H > S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.919 124.9 47.4 -54.1 -45.8 10.0 -8.7 37.4 291 307 A E H > S+ 0 0 124 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.870 113.0 48.3 -65.2 -40.3 6.5 -9.3 36.1 292 308 A A H > S+ 0 0 1 -6,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.910 115.0 43.3 -67.1 -44.4 6.6 -6.4 33.7 293 309 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.750 108.8 57.2 -78.6 -25.2 10.0 -7.3 32.3 294 310 A A H X S+ 0 0 15 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.890 111.8 44.0 -67.7 -40.2 9.3 -11.0 32.0 295 311 A S H X S+ 0 0 31 -4,-1.4 4,-2.0 2,-0.2 5,-0.2 0.887 110.2 56.1 -66.3 -42.4 6.3 -10.0 29.8 296 312 A R H X>S+ 0 0 7 -4,-2.0 4,-3.2 1,-0.2 5,-0.6 0.901 108.2 47.5 -59.6 -43.3 8.5 -7.5 27.9 297 313 A F H X5S+ 0 0 14 -4,-2.1 4,-2.0 3,-0.2 -1,-0.2 0.933 109.2 53.8 -61.4 -47.0 10.9 -10.3 27.0 298 314 A K H <5S+ 0 0 120 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.864 121.5 30.2 -56.3 -38.7 8.1 -12.6 25.9 299 315 A E H <5S+ 0 0 56 -4,-2.0 -2,-0.2 3,-0.1 -1,-0.2 0.888 131.2 30.2 -89.4 -45.9 6.7 -10.0 23.5 300 316 A T H <5S- 0 0 1 -4,-3.2 -63,-0.5 -5,-0.2 -3,-0.2 0.739 88.8-134.4 -90.8 -25.7 9.7 -7.9 22.4 301 317 A G << + 0 0 10 -4,-2.0 2,-0.4 -5,-0.6 -4,-0.2 0.445 58.5 140.0 81.6 2.0 12.5 -10.6 22.6 302 318 A E - 0 0 4 -6,-0.5 -1,-0.3 -68,-0.1 -2,-0.2 -0.674 57.3-118.7 -87.7 130.0 14.7 -8.0 24.3 303 319 A I - 0 0 13 -191,-0.4 -191,-2.7 -2,-0.4 -1,-0.1 -0.518 23.0-141.9 -74.9 115.3 16.8 -9.4 27.2 304 320 A P - 0 0 1 0, 0.0 2,-1.9 0, 0.0 -193,-0.2 -0.641 6.7-140.5 -81.4 126.1 15.9 -7.7 30.6 305 321 A P + 0 0 0 0, 0.0 -213,-2.8 0, 0.0 2,-0.5 -0.256 57.1 135.0 -81.3 51.6 18.9 -7.1 32.8 306 322 A Q B > -F 91 0B 2 -2,-1.9 4,-2.5 -215,-0.3 -215,-0.3 -0.900 59.6-131.5-102.1 128.1 16.9 -8.1 35.8 307 323 A K H > S+ 0 0 87 -217,-2.2 4,-0.8 -2,-0.5 -1,-0.1 0.873 103.4 39.2 -49.6 -55.5 18.8 -10.4 38.1 308 324 A E H 4 S+ 0 0 134 -218,-0.4 3,-0.3 1,-0.2 -1,-0.2 0.842 116.6 52.1 -65.2 -35.6 16.2 -13.1 38.6 309 325 A L H >4 S+ 0 0 0 1,-0.2 3,-0.8 2,-0.2 7,-0.3 0.824 101.8 58.8 -72.2 -33.7 15.0 -12.9 35.0 310 326 A L H 3< S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.754 111.9 42.3 -65.4 -25.5 18.6 -13.4 33.6 311 327 A N T 3< S+ 0 0 121 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.330 84.0 117.0-103.9 3.7 18.7 -16.7 35.4 312 328 A D X> - 0 0 37 -3,-0.8 4,-3.6 1,-0.2 3,-2.2 -0.653 64.6-142.7 -69.5 118.4 15.2 -17.7 34.5 313 329 A P H 3> S+ 0 0 84 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.761 99.8 66.3 -58.0 -27.4 15.7 -20.9 32.4 314 330 A M H 34 S+ 0 0 110 2,-0.1 -5,-0.0 1,-0.1 -2,-0.0 0.779 120.3 20.2 -59.6 -31.0 12.8 -19.7 30.2 315 331 A I H X4 S+ 0 0 4 -3,-2.2 3,-1.0 -6,-0.2 6,-0.2 0.809 124.4 52.4-105.6 -50.0 15.0 -16.8 29.2 316 332 A K H 3< S+ 0 0 93 -4,-3.6 -2,-0.1 -7,-0.3 9,-0.1 0.894 115.9 38.7 -57.3 -47.3 18.6 -18.0 30.0 317 333 A N T 3< S+ 0 0 98 -4,-1.2 -1,-0.2 -5,-0.3 -3,-0.1 0.329 81.3 124.5 -93.6 6.6 18.4 -21.3 28.1 318 334 A N <> - 0 0 53 -3,-1.0 4,-3.0 1,-0.2 3,-0.3 -0.584 64.8-135.5 -64.3 117.9 16.4 -19.9 25.1 319 335 A P H > S+ 0 0 99 0, 0.0 4,-1.0 0, 0.0 -71,-0.3 0.783 104.2 49.9 -50.7 -34.9 18.7 -20.8 22.1 320 336 A V H > S+ 0 0 18 2,-0.2 4,-1.0 1,-0.1 3,-0.2 0.936 114.9 42.4 -67.4 -49.2 18.1 -17.4 20.6 321 337 A V H > S+ 0 0 10 -3,-0.3 4,-2.4 1,-0.2 3,-0.5 0.905 105.2 64.3 -64.9 -45.8 19.0 -15.6 23.9 322 338 A N H X S+ 0 0 56 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.844 99.9 52.6 -47.2 -45.3 22.0 -17.8 24.7 323 339 A G H X S+ 0 0 1 -4,-1.0 4,-1.9 -3,-0.2 -1,-0.2 0.900 111.1 46.3 -60.4 -44.2 23.9 -16.7 21.6 324 340 A F H X S+ 0 0 4 -4,-1.0 4,-2.6 -3,-0.5 -2,-0.2 0.873 110.9 52.0 -66.7 -40.1 23.5 -13.0 22.5 325 341 A A H X S+ 0 0 50 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.912 108.5 52.6 -61.8 -44.1 24.5 -13.6 26.1 326 342 A K H X S+ 0 0 100 -4,-2.3 4,-0.6 -5,-0.2 -2,-0.2 0.936 112.8 42.6 -54.0 -54.2 27.7 -15.4 24.9 327 343 A Q H >< S+ 0 0 3 -4,-1.9 3,-1.2 1,-0.2 -66,-0.4 0.911 112.5 53.7 -62.8 -43.9 28.7 -12.5 22.7 328 344 A A H >< S+ 0 0 23 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.833 99.5 63.3 -59.1 -34.7 27.8 -9.9 25.4 329 345 A S H 3< S+ 0 0 77 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.739 108.0 42.3 -63.4 -23.7 30.0 -11.7 27.9 330 346 A K T << S+ 0 0 93 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.400 106.1 88.5 -99.6 -1.4 33.0 -10.9 25.7 331 347 A G < - 0 0 15 -3,-1.2 -69,-0.2 -4,-0.4 -71,-0.1 -0.238 68.0-128.0 -94.4 179.8 31.9 -7.3 25.0 332 348 A V E -o 262 0I 44 -71,-2.4 -69,-2.3 -2,-0.1 -2,-0.1 -0.978 28.1-107.1-127.3 142.0 32.3 -3.9 26.6 333 349 A P E -o 263 0I 48 0, 0.0 -69,-0.2 0, 0.0 3,-0.1 -0.411 45.1-102.6 -63.1 142.8 29.7 -1.4 27.6 334 350 A M - 0 0 7 -71,-2.1 -69,-0.1 1,-0.1 6,-0.0 -0.365 46.1 -95.2 -57.9 143.4 29.6 1.7 25.2 335 351 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 -237,-0.0 -0.331 36.2-170.1 -57.2 147.4 31.3 4.7 26.8 336 352 A S + 0 0 25 -268,-0.1 -266,-1.5 -3,-0.1 -265,-0.2 0.248 40.8 124.3-127.3 9.5 28.8 7.0 28.5 337 353 A I S > S- 0 0 17 -267,-0.1 3,-2.3 -268,-0.1 4,-0.3 -0.369 78.2-102.9 -66.4 151.7 31.0 10.0 29.2 338 354 A P G > S+ 0 0 4 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.781 117.3 65.4 -47.8 -37.4 29.7 13.4 27.8 339 355 A E G > S+ 0 0 10 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.595 80.6 78.7 -68.4 -11.3 32.2 13.3 24.9 340 356 A M G X> S+ 0 0 0 -3,-2.3 3,-1.0 1,-0.3 4,-0.9 0.796 81.3 70.6 -61.9 -27.0 30.5 10.2 23.4 341 357 A G G <4 S+ 0 0 27 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.401 100.3 44.9 -69.9 1.7 27.9 12.8 22.2 342 358 A V G <4 S+ 0 0 16 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.463 101.6 70.4-116.8 -9.2 30.5 14.0 19.7 343 359 A V T <> S+ 0 0 0 -3,-1.0 4,-2.1 -4,-0.4 5,-0.2 0.916 84.5 59.6 -77.9 -48.1 31.7 10.6 18.5 344 360 A W H X S+ 0 0 44 -4,-0.9 4,-2.4 1,-0.2 5,-0.3 0.855 101.3 47.3 -62.8 -48.5 28.9 9.1 16.4 345 361 A E H > S+ 0 0 150 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.958 116.7 41.7 -61.9 -54.6 28.3 11.5 13.6 346 362 A P H > S+ 0 0 15 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.915 116.9 48.0 -58.2 -44.7 32.0 12.1 12.6 347 363 A I H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.904 114.3 45.6 -66.6 -40.5 32.9 8.4 12.9 348 364 A N H X S+ 0 0 38 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.866 111.3 53.3 -67.6 -37.6 29.9 7.2 10.9 349 365 A N H X S+ 0 0 78 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.886 106.3 54.2 -59.5 -40.0 30.7 10.0 8.3 350 366 A A H X S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.888 106.0 51.3 -61.1 -43.0 34.2 8.5 8.1 351 367 A H H X S+ 0 0 0 -4,-1.7 4,-2.4 -195,-0.2 -1,-0.2 0.877 109.2 51.6 -59.7 -40.6 32.7 5.0 7.4 352 368 A T H X S+ 0 0 65 -4,-1.8 4,-2.3 -196,-0.2 6,-0.2 0.933 107.9 51.0 -62.9 -48.3 30.6 6.6 4.6 353 369 A F H <>S+ 0 0 79 -4,-2.3 5,-2.5 1,-0.2 6,-1.5 0.872 114.7 42.9 -58.0 -41.9 33.7 8.3 3.0 354 370 A V H ><5S+ 0 0 2 -4,-1.9 3,-1.0 4,-0.2 -1,-0.2 0.894 112.0 53.5 -72.6 -39.8 35.7 5.0 2.9 355 371 A A H 3<5S+ 0 0 9 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.862 109.8 48.2 -61.5 -39.0 32.7 2.9 1.7 356 372 A Q T 3<5S- 0 0 107 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.520 113.7-118.6 -78.9 -7.2 32.2 5.3 -1.2 357 373 A G T < 5S+ 0 0 65 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.756 82.8 117.5 73.3 27.3 35.9 5.2 -2.1 358 374 A K S - 0 0 77 -2,-0.3 4,-2.9 -3,-0.1 5,-0.3 -0.359 34.4-105.7 -74.7 159.9 41.2 6.5 2.7 361 377 A P H > S+ 0 0 6 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.921 121.6 47.7 -45.9 -49.9 40.8 4.9 6.2 362 378 A E H > S+ 0 0 112 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.940 114.7 43.2 -61.8 -51.5 43.7 7.1 7.5 363 379 A Q H > S+ 0 0 82 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.917 114.5 50.2 -62.6 -44.9 42.4 10.3 6.1 364 380 A A H X S+ 0 0 2 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.895 114.3 43.9 -60.9 -43.8 38.8 9.7 7.1 365 381 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.868 112.7 51.6 -71.7 -38.0 39.7 8.8 10.7 366 382 A N H X S+ 0 0 53 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.926 112.9 45.5 -62.5 -45.3 42.1 11.7 11.0 367 383 A D H X S+ 0 0 62 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.896 111.9 53.1 -62.9 -42.1 39.5 14.2 9.8 368 384 A A H X S+ 0 0 5 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.920 109.2 46.4 -62.0 -47.9 36.9 12.6 12.1 369 385 A V H X S+ 0 0 4 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.851 109.3 54.8 -67.3 -36.9 38.9 12.9 15.3 370 386 A K H X S+ 0 0 130 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.928 110.4 47.2 -58.8 -46.2 39.9 16.5 14.6 371 387 A I H X S+ 0 0 75 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.913 111.5 51.4 -59.2 -47.1 36.2 17.3 14.3 372 388 A M H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.937 110.9 47.0 -55.8 -51.6 35.5 15.4 17.5 373 389 A K H X S+ 0 0 76 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.891 112.0 50.1 -60.4 -43.6 38.1 17.4 19.4 374 390 A E H < S+ 0 0 99 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.895 110.4 49.9 -61.4 -43.7 37.0 20.7 18.1 375 391 A K H >< S+ 0 0 125 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.818 102.6 60.3 -66.6 -34.3 33.3 20.0 19.0 376 392 A I H >< S+ 0 0 9 -4,-1.9 3,-1.4 1,-0.3 -1,-0.2 0.838 97.2 61.6 -60.7 -32.7 34.4 19.0 22.6 377 393 A Q T 3< S+ 0 0 130 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.263 104.7 48.5 -78.0 12.4 35.7 22.6 22.9 378 394 A T T < S+ 0 0 110 -3,-1.7 -1,-0.3 0, 0.0 -2,-0.2 0.172 100.0 92.8-128.8 11.9 32.2 23.8 22.4 379 395 A M < + 0 0 51 -3,-1.4 -3,-0.1 2,-0.0 -40,-0.0 -0.118 59.9 28.3 -94.5-167.2 30.5 21.5 24.9 380 396 A K 0 0 109 -309,-0.1 -3,-0.0 -2,-0.1 -309,-0.0 0.046 360.0 360.0 53.8-156.0 29.5 21.5 28.6 381 397 A Q 0 0 226 0, 0.0 -306,-0.1 0, 0.0 -2,-0.0 -0.562 360.0 360.0 -76.2 360.0 28.4 24.3 31.0