==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ENTEROTOXIN 15-SEP-93 1LTA . COMPND 2 MOLECULE: HEAT-LABILE ENTEROTOXIN, SUBUNIT B; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.A.MERRITT,T.K.SIXMA,K.H.KALK,B.A.M.VAN ZANTEN,W.G.J.HOL . 748 7 6 5 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28680.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 528 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 203 27.1 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 . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 38 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 8 2 1 0 0 0 1 0 0 0 0 0 1 0 1 3 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 3 1 9 10 5 4 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 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 1 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 D A 0 0 45 0, 0.0 7,-0.0 0, 0.0 138,-0.0 0.000 360.0 360.0 360.0 157.4 29.8 57.9 29.4 2 2 D P - 0 0 1 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.169 360.0-156.0 -55.2 154.9 31.4 54.5 30.4 3 3 D Q S S+ 0 0 75 1,-0.1 2,-0.3 140,-0.0 149,-0.1 0.590 70.6 34.6-114.2 -9.3 29.1 52.0 32.0 4 4 D T S > S- 0 0 69 147,-0.0 4,-2.2 1,-0.0 -1,-0.1 -0.914 82.2-112.2-138.9 163.6 31.5 49.8 34.0 5 5 D I H > S+ 0 0 6 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.766 117.2 56.7 -69.2 -28.1 34.8 50.4 35.8 6 6 D T H > S+ 0 0 68 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.938 108.6 45.8 -69.3 -41.2 36.6 48.4 33.2 7 7 D E H > S+ 0 0 85 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.901 115.0 47.2 -67.7 -40.4 35.3 50.6 30.4 8 8 D L H >< S+ 0 0 0 -4,-2.2 3,-2.0 1,-0.2 4,-0.3 0.972 109.3 53.6 -64.7 -48.1 36.2 53.7 32.4 9 9 D a H >< S+ 0 0 3 -4,-2.7 3,-1.4 1,-0.3 -1,-0.2 0.820 100.4 63.1 -58.2 -32.3 39.7 52.5 33.3 10 10 D S H 3< S+ 0 0 90 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.656 86.2 71.9 -66.9 -21.1 40.5 51.8 29.6 11 11 D E T << S+ 0 0 95 -3,-2.0 2,-0.3 -4,-0.5 -1,-0.3 0.591 94.0 67.7 -73.9 -6.6 40.2 55.4 28.7 12 12 D Y S X S- 0 0 55 -3,-1.4 3,-0.6 -4,-0.3 2,-0.2 -0.841 78.7-117.7-121.9 154.8 43.4 56.3 30.4 13 13 D R T 3 S+ 0 0 217 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.575 92.5 18.0 -81.6 149.6 47.1 55.6 30.0 14 14 D N T 3 S+ 0 0 88 1,-0.2 75,-2.5 -2,-0.2 76,-0.5 0.822 93.7 129.9 62.8 38.0 49.1 53.7 32.6 15 15 D T E < -A 88 0A 29 -3,-0.6 2,-0.3 73,-0.3 -1,-0.2 -0.739 32.6-176.8-117.5 168.4 46.1 52.2 34.3 16 16 D Q E -A 87 0A 81 71,-1.3 71,-2.6 -2,-0.3 2,-0.5 -0.962 24.3-123.8-158.5 147.7 45.2 48.6 35.3 17 17 D I E -A 86 0A 47 -2,-0.3 2,-0.4 69,-0.2 69,-0.2 -0.854 21.5-159.8 -95.7 132.8 42.2 46.9 36.9 18 18 D Y E -A 85 0A 43 67,-2.7 67,-2.1 -2,-0.5 2,-0.8 -0.965 10.3-147.2-107.8 132.1 42.7 44.9 40.1 19 19 D T E +A 84 0A 101 -2,-0.4 65,-0.2 65,-0.2 64,-0.1 -0.891 34.4 157.5 -94.4 107.5 40.2 42.3 41.1 20 20 D I E - 0 0 24 63,-2.3 64,-0.2 -2,-0.8 -1,-0.2 0.879 16.5-179.3 -98.2 -59.5 40.3 42.5 44.9 21 21 D N E + 0 0 113 62,-1.4 2,-0.3 61,-0.5 62,-0.2 0.892 50.4 95.7 52.5 51.7 37.1 41.1 46.2 22 22 D D E S-A 82 0A 32 60,-1.2 60,-3.1 58,-0.1 -1,-0.2 -0.960 75.3-101.2-157.9 163.1 38.0 41.7 49.8 23 23 D K - 0 0 24 -2,-0.3 20,-0.4 58,-0.3 2,-0.3 -0.547 51.1 -88.4 -87.5 162.0 37.6 44.3 52.6 24 24 D I - 0 0 0 56,-0.5 18,-0.2 -2,-0.2 3,-0.1 -0.555 29.9-162.0 -73.5 135.6 40.3 46.7 53.5 25 25 D L S S+ 0 0 38 16,-2.5 494,-2.9 1,-0.3 2,-0.3 0.863 71.5 8.6 -84.5 -48.8 42.8 45.5 56.1 26 26 D S E -BC 41 518A 23 15,-1.6 15,-1.7 492,-0.2 2,-0.4 -0.994 56.1-158.8-139.3 154.2 44.3 48.9 57.2 27 27 D Y E -BC 40 517A 0 490,-2.1 490,-2.2 -2,-0.3 2,-0.4 -0.997 9.1-171.2-131.0 119.5 43.6 52.6 56.6 28 28 D T E -BC 39 516A 9 11,-2.8 11,-2.4 -2,-0.4 2,-0.4 -0.974 3.9-171.5-114.1 134.1 46.3 55.2 57.1 29 29 D E E -BC 38 515A 4 486,-2.5 486,-2.5 -2,-0.4 2,-0.4 -0.996 4.3-167.2-125.8 128.9 45.4 58.9 57.0 30 30 D S E + C 0 514A 6 7,-2.4 7,-0.4 -2,-0.4 484,-0.2 -0.948 25.7 175.9-124.4 139.3 48.0 61.7 57.1 31 31 D M + 0 0 2 482,-3.0 5,-0.2 -2,-0.4 2,-0.2 0.141 45.1 128.6-118.5 13.6 47.8 65.5 57.6 32 32 D A S > S- 0 0 0 481,-0.5 3,-2.5 3,-0.4 -2,-0.1 -0.472 75.5 -85.7 -70.9 139.3 51.5 66.1 57.4 33 33 D G T 3 S+ 0 0 5 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.245 111.6 2.9 -55.5 130.3 52.5 68.8 55.0 34 34 D K T 3 S+ 0 0 142 -3,-0.1 -1,-0.3 1,-0.1 18,-0.1 0.391 122.7 73.4 64.3 6.1 52.9 67.5 51.4 35 35 D R < + 0 0 62 -3,-2.5 2,-1.6 2,-0.1 -3,-0.4 -0.238 53.0 144.8-128.1 42.6 51.8 64.0 52.5 36 36 D E + 0 0 11 -5,-0.2 2,-0.3 17,-0.1 -5,-0.2 -0.620 41.8 115.2 -80.6 90.2 48.1 64.8 52.9 37 37 D M - 0 0 3 -2,-1.6 -7,-2.4 -7,-0.4 2,-0.3 -0.858 61.6-123.3-151.3 171.4 47.0 61.4 51.6 38 38 D V E -BD 29 50A 1 12,-0.8 12,-2.2 -2,-0.3 2,-0.4 -0.963 19.4-166.9-126.8 143.7 45.3 58.1 52.5 39 39 D I E -BD 28 49A 2 -11,-2.4 -11,-2.8 -2,-0.3 2,-0.3 -0.984 5.4-172.4-130.2 135.0 46.9 54.6 52.1 40 40 D I E -BD 27 48A 1 8,-2.4 8,-2.1 -2,-0.4 2,-0.3 -0.965 2.5-166.4-124.6 148.1 44.9 51.4 52.2 41 41 D T E -BD 26 47A 25 -15,-1.7 -16,-2.5 -2,-0.3 -15,-1.6 -0.958 8.7-143.9-133.3 160.0 46.2 47.8 52.3 42 42 D F > - 0 0 2 4,-1.8 3,-2.4 -2,-0.3 -18,-0.1 -0.751 34.2-106.7-114.0 159.7 44.7 44.3 51.8 43 43 D K T 3 S+ 0 0 120 -20,-0.4 -19,-0.1 1,-0.3 -1,-0.1 0.807 119.7 66.1 -52.8 -33.4 45.6 41.0 53.5 44 44 D S T 3 S- 0 0 81 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.642 119.1-114.1 -61.4 -16.0 47.2 40.1 50.2 45 45 D G < + 0 0 51 -3,-2.4 -2,-0.1 1,-0.3 2,-0.1 0.374 67.0 147.2 91.9 -3.7 49.7 42.8 50.9 46 46 D E - 0 0 74 -5,-0.0 -4,-1.8 47,-0.0 2,-0.4 -0.473 30.6-160.8 -67.4 136.4 48.5 45.0 47.9 47 47 D T E +D 41 0A 30 -6,-0.2 47,-0.8 -2,-0.1 2,-0.3 -0.964 12.7 176.5-125.7 134.9 48.9 48.7 48.9 48 48 D F E -De 40 94A 3 -8,-2.1 -8,-2.4 -2,-0.4 2,-0.3 -0.942 9.6-156.2-135.9 155.8 47.2 51.7 47.2 49 49 D Q E -De 39 95A 9 45,-2.1 47,-2.0 -2,-0.3 2,-0.6 -0.866 21.6-133.4-127.1 160.5 47.1 55.5 47.8 50 50 D V E -D 38 0A 0 -12,-2.2 -12,-0.8 -2,-0.3 47,-0.1 -0.987 49.3-121.0-103.5 120.1 44.9 58.4 47.1 51 51 D E - 0 0 19 -2,-0.6 -16,-0.1 45,-0.3 3,-0.0 -0.230 17.1-101.6 -65.4 157.4 47.5 60.9 45.8 52 52 D V - 0 0 38 -18,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.508 54.1 -97.9 -63.0 135.9 48.3 64.3 47.2 53 53 D P + 0 0 47 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.434 66.0 154.7 -58.7 135.1 46.6 66.8 44.9 54 54 D G > - 0 0 27 -2,-0.1 3,-2.0 4,-0.1 -3,-0.0 -0.743 58.1 -67.4-146.5-164.8 49.2 68.1 42.4 55 55 D S T 3 S+ 0 0 133 1,-0.3 -1,-0.0 -2,-0.2 0, 0.0 0.705 122.7 63.0 -64.8 -29.5 50.0 69.5 39.1 56 56 D Q T 3 S+ 0 0 101 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.438 90.4 85.3 -73.7 -1.4 48.9 66.3 37.4 57 57 D H S < S- 0 0 14 -3,-2.0 2,-0.2 79,-0.0 79,-0.1 -0.841 72.9-140.9-103.8 136.0 45.3 66.9 38.7 58 58 D I >> - 0 0 72 -2,-0.4 3,-1.3 1,-0.1 4,-0.6 -0.531 32.3-100.7 -83.2 167.1 42.9 69.1 36.9 59 59 D D H >> S+ 0 0 111 1,-0.3 3,-1.7 2,-0.2 4,-0.5 0.905 119.6 56.9 -52.9 -48.4 40.6 71.4 38.9 60 60 D S H 3> S+ 0 0 11 1,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.751 100.0 61.9 -60.5 -19.2 37.5 69.2 38.6 61 61 D Q H <> S+ 0 0 11 -3,-1.3 4,-2.1 1,-0.2 -1,-0.3 0.727 85.3 75.6 -81.0 -17.2 39.5 66.3 40.3 62 62 D K H S+ 0 0 1 -4,-2.3 5,-1.7 -5,-0.2 4,-0.6 0.931 111.5 46.3 -66.2 -40.2 34.3 51.4 53.3 76 76 D Y H ><5S+ 0 0 2 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.973 113.7 48.2 -63.4 -50.3 37.1 50.4 55.8 77 77 D L H 3<5S+ 0 0 14 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.876 115.5 42.4 -62.9 -40.3 35.0 51.1 58.9 78 78 D T H 3<5S- 0 0 9 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.537 105.3-127.5 -83.4 -4.2 32.0 49.2 57.7 79 79 D E T <<5 + 0 0 98 -3,-1.4 2,-0.3 -4,-0.6 -3,-0.2 0.837 44.9 171.6 56.2 38.4 34.2 46.3 56.3 80 80 D T < - 0 0 20 -5,-1.7 -56,-0.5 -6,-0.2 2,-0.3 -0.583 34.9-115.9 -76.5 132.6 32.5 46.5 52.9 81 81 D K - 0 0 88 -2,-0.3 2,-0.4 -58,-0.2 21,-0.3 -0.545 22.1-139.2 -71.2 133.5 34.2 44.3 50.2 82 82 D I E -A 22 0A 0 -60,-3.1 -60,-1.2 -2,-0.3 -61,-0.5 -0.781 11.7-163.9 -91.0 139.5 35.7 46.1 47.4 83 83 D D E - 0 0 26 17,-2.7 -63,-2.3 -2,-0.4 -62,-1.4 0.921 62.5 -9.1 -85.3 -69.0 35.2 44.5 44.0 84 84 D K E -AF 19 100A 49 16,-0.7 16,-1.9 -65,-0.2 2,-0.4 -0.884 53.6-151.0-133.7 155.4 37.7 46.1 41.6 85 85 D L E -AF 18 99A 0 -67,-2.1 -67,-2.7 -2,-0.3 2,-0.6 -0.988 6.0-153.3-124.6 135.8 40.1 49.0 41.6 86 86 D a E +AF 17 98A 0 12,-2.4 11,-3.1 -2,-0.4 12,-1.8 -0.973 32.7 176.6-101.7 124.2 41.2 51.0 38.6 87 87 D V E -AF 16 96A 0 -71,-2.6 -71,-1.3 -2,-0.6 2,-0.6 -0.891 37.9-120.9-128.4 154.2 44.7 52.3 39.4 88 88 D W E -AF 15 95A 36 7,-2.7 7,-1.5 -2,-0.3 3,-0.3 -0.866 25.6-163.2 -88.2 125.4 47.5 54.3 37.8 89 89 D N S S+ 0 0 68 -75,-2.5 -74,-0.1 -2,-0.6 -1,-0.1 0.281 73.7 80.4 -98.9 14.3 50.4 52.0 37.9 90 90 D N S S+ 0 0 89 -76,-0.5 2,-0.3 5,-0.1 -1,-0.2 -0.061 87.0 75.1-102.0 36.0 53.2 54.5 37.2 91 91 D K S S- 0 0 60 -3,-0.3 4,-0.0 4,-0.0 0, 0.0 -0.976 84.4-112.9-143.9 147.0 53.0 55.5 40.9 92 92 D T S S+ 0 0 90 -2,-0.3 2,-0.2 1,-0.2 -44,-0.1 -0.982 110.9 24.7-129.2 118.7 54.2 53.7 44.1 93 93 D P S S- 0 0 5 0, 0.0 -45,-0.2 0, 0.0 -1,-0.2 0.712 116.5-108.7 -69.2 166.2 52.0 52.7 45.8 94 94 D N E -e 48 0A 29 -47,-0.8 -45,-2.1 -2,-0.2 2,-0.4 -0.311 34.4-126.0 -62.0 143.9 49.6 52.6 42.9 95 95 D S E -eF 49 88A 1 -7,-1.5 -7,-2.7 -47,-0.2 -45,-0.2 -0.831 15.0-116.9-103.4 140.2 47.0 55.3 43.0 96 96 D I E + F 0 87A 1 -47,-2.0 -45,-0.3 -2,-0.4 -9,-0.2 -0.382 32.3 168.2 -69.2 131.3 43.2 54.8 42.8 97 97 D A E S- 0 0 0 -11,-3.1 38,-3.1 1,-0.5 39,-0.5 0.646 74.2 -3.4-104.9 -39.5 41.4 56.3 39.8 98 98 D A E -GF 134 86A 0 -12,-1.8 -12,-2.4 36,-0.2 -1,-0.5 -0.979 59.6-156.7-154.6 157.2 38.1 54.5 40.4 99 99 D I E -GF 133 85A 0 34,-2.0 34,-2.2 -2,-0.3 2,-0.3 -0.967 7.7-170.1-136.3 147.8 36.6 51.9 42.9 100 100 D S E -GF 132 84A 4 -16,-1.9 -17,-2.7 -2,-0.3 -16,-0.7 -0.979 2.4-175.8-137.3 154.1 33.6 49.5 42.5 101 101 D M E -G 131 0A 1 30,-2.0 30,-2.1 -2,-0.3 2,-0.3 -0.982 8.1-155.7-150.5 150.6 31.8 47.3 45.0 102 102 D K E G 130 0A 120 -2,-0.3 28,-0.2 -21,-0.3 -21,-0.2 -0.949 360.0 360.0-135.7 139.5 29.0 44.8 44.5 103 103 D N 0 0 72 26,-2.5 26,-0.1 -2,-0.3 -1,-0.1 0.301 360.0 360.0-107.4 360.0 26.3 43.4 46.9 104 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 105 1 E A 0 0 47 0, 0.0 2,-0.1 0, 0.0 138,-0.0 0.000 360.0 360.0 360.0 170.3 6.4 73.1 44.5 106 2 E P - 0 0 2 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.449 360.0-159.5 -62.4 148.5 6.0 69.4 43.5 107 3 E Q S S+ 0 0 67 1,-0.1 2,-0.3 -2,-0.1 149,-0.1 0.647 70.3 30.7-107.4 -18.3 4.8 67.0 46.1 108 4 E T S > S- 0 0 67 1,-0.1 4,-1.9 147,-0.0 3,-0.4 -0.935 81.0-111.2-135.3 162.5 5.9 63.7 44.7 109 5 E I H > S+ 0 0 8 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.884 118.0 56.7 -60.0 -35.1 8.8 62.5 42.5 110 6 E T H > S+ 0 0 72 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.889 107.1 48.6 -68.9 -29.1 6.3 61.8 39.7 111 7 E E H 4 S+ 0 0 89 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.849 113.4 45.9 -75.0 -37.6 5.1 65.4 39.8 112 8 E L H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 4,-0.2 0.896 108.8 57.2 -71.3 -43.1 8.6 66.8 39.7 113 9 E b H >< S+ 0 0 3 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.862 100.6 55.1 -61.6 -35.3 9.7 64.5 36.9 114 10 E S T 3< S+ 0 0 96 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.467 92.0 70.1 -84.8 6.7 7.1 65.5 34.3 115 11 E E T < S+ 0 0 92 -3,-1.3 2,-0.3 -4,-0.2 -1,-0.2 0.471 93.3 73.4 -90.8 2.8 7.9 69.2 34.4 116 12 E Y S X S- 0 0 48 -3,-1.2 3,-0.5 -4,-0.2 2,-0.3 -0.830 83.6-120.7-113.1 150.6 11.2 68.4 32.7 117 13 E R T 3 S+ 0 0 205 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.656 92.7 19.9 -86.1 141.8 11.8 67.5 29.0 118 14 E N T 3 S+ 0 0 60 -2,-0.3 75,-2.8 1,-0.2 76,-0.5 0.828 95.5 124.2 71.3 38.5 13.4 64.1 28.3 119 15 E T E < +H 192 0A 24 -3,-0.5 2,-0.3 73,-0.3 -1,-0.2 -0.709 32.1 176.8-120.7 166.1 12.7 62.5 31.7 120 16 E Q E -H 191 0A 80 71,-1.2 71,-2.7 -2,-0.2 2,-0.4 -0.919 27.8-115.3-163.3 156.0 11.0 59.4 32.8 121 17 E I E -H 190 0A 49 -2,-0.3 2,-0.5 69,-0.2 69,-0.2 -0.760 20.7-167.6 -96.1 134.0 10.2 57.5 35.9 122 18 E Y E -H 189 0A 57 67,-2.3 67,-2.4 -2,-0.4 2,-0.7 -0.989 13.8-146.8-114.4 129.9 11.7 54.1 36.5 123 19 E T E +H 188 0A 90 -2,-0.5 65,-0.2 65,-0.2 64,-0.1 -0.929 30.4 161.9-101.1 117.7 10.2 52.2 39.4 124 20 E I E - 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0 0 39 -24,-2.0 4,-2.6 1,-0.2 5,-0.3 -0.772 30.1-179.4-100.1 95.1 20.3 50.1 70.1 667 147 A D H > S+ 0 0 44 -2,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.958 75.3 44.4 -61.3 -52.6 17.9 51.2 72.8 668 148 A R H > S+ 0 0 33 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.908 116.5 46.3 -62.6 -46.3 15.9 53.7 70.8 669 149 A Y H 4 S+ 0 0 27 1,-0.2 3,-0.4 2,-0.1 -1,-0.2 0.959 120.2 36.4 -62.7 -54.3 15.6 51.5 67.7 670 150 A Y H >< S+ 0 0 5 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.745 93.3 95.3 -73.2 -19.8 14.6 48.3 69.5 671 151 A R H 3< S+ 0 0 95 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.1 0.840 96.6 23.7 -33.1 -57.2 12.5 50.1 72.2 672 152 A N T 3< S+ 0 0 101 -4,-0.6 -1,-0.3 -3,-0.4 2,-0.2 0.220 94.4 119.7-107.6 19.0 9.2 49.7 70.5 673 153 A L < - 0 0 34 -3,-2.1 -63,-0.2 -63,-0.3 2,-0.2 -0.470 39.7-160.8 -94.8 161.7 9.6 46.7 68.2 674 154 A N - 0 0 97 -2,-0.2 -60,-0.2 1,-0.1 -2,-0.0 -0.708 30.0 -77.0-129.2 172.3 7.7 43.5 68.3 675 155 A I - 0 0 44 -2,-0.2 -60,-0.2 -65,-0.2 -1,-0.1 -0.216 59.9 -96.8 -55.9 157.2 7.7 39.8 67.1 676 156 A A - 0 0 4 -62,-2.5 -60,-0.4 -65,-0.5 -1,-0.1 -0.594 48.9-104.1 -70.7 145.4 6.9 39.3 63.4 677 157 A P >> - 0 0 65 0, 0.0 3,-1.7 0, 0.0 4,-1.0 -0.456 24.8-115.3 -65.4 149.6 3.2 38.4 63.0 678 158 A A H >> S+ 0 0 23 1,-0.3 4,-1.8 2,-0.2 3,-0.8 0.867 113.5 68.4 -53.2 -35.4 2.4 34.7 62.3 679 159 A E H 3> S+ 0 0 125 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.815 98.4 48.0 -47.3 -42.5 1.0 35.8 59.0 680 160 A D H <4 S+ 0 0 59 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.778 111.3 54.2 -73.6 -25.9 4.4 36.8 57.8 681 161 A G H X< S+ 0 0 0 -4,-1.0 3,-1.7 -3,-0.8 4,-0.5 0.767 87.2 78.7 -81.2 -28.0 5.6 33.4 59.0 682 162 A Y H >< S+ 0 0 38 -4,-1.8 3,-1.6 1,-0.3 4,-0.3 0.883 93.4 47.0 -54.1 -45.7 3.1 31.2 57.1 683 163 A R T 3< S+ 0 0 71 -4,-0.5 -1,-0.3 1,-0.3 3,-0.2 0.616 115.9 48.2 -74.8 -5.8 4.8 31.3 53.7 684 164 A L T < S+ 0 0 1 -3,-1.7 -123,-0.9 -4,-0.2 -1,-0.3 0.333 76.7 109.4-106.1 5.6 8.1 30.6 55.5 685 165 A A < - 0 0 0 -3,-1.6 -123,-1.6 -4,-0.5 -2,-0.1 0.818 69.8-145.6 -56.7 -35.1 6.8 27.6 57.6 686 166 A G + 0 0 1 -4,-0.3 -123,-0.2 1,-0.2 -1,-0.1 0.626 31.3 166.6 87.2 11.4 8.8 25.1 55.6 687 167 A F - 0 0 0 1,-0.1 -1,-0.2 -125,-0.1 30,-0.1 -0.274 46.7 -93.7 -56.6 145.7 6.6 22.1 55.6 688 168 A P > - 0 0 38 0, 0.0 3,-2.2 0, 0.0 6,-0.3 -0.196 38.0-103.9 -55.7 154.5 7.5 19.4 53.1 689 169 A P T 3 S+ 0 0 26 0, 0.0 19,-1.6 0, 0.0 -2,-0.1 0.726 121.7 44.6 -54.5 -25.5 5.8 19.6 49.7 690 170 A D T 3 S+ 0 0 130 18,-0.2 2,-0.3 17,-0.1 17,-0.1 0.383 81.7 121.9 -99.6 0.9 3.5 16.6 50.6 691 171 A H X - 0 0 21 -3,-2.2 3,-2.2 1,-0.2 4,-0.3 -0.502 64.3-135.9 -72.1 128.9 2.6 17.9 54.1 692 172 A Q G > S+ 0 0 101 -2,-0.3 3,-2.5 1,-0.3 4,-0.4 0.732 96.5 81.1 -60.9 -24.3 -1.2 18.2 54.4 693 173 A A G > S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 7,-0.4 0.871 85.1 59.7 -41.5 -36.9 -0.6 21.6 56.2 694 174 A W G < S+ 0 0 4 -3,-2.2 -1,-0.3 1,-0.3 9,-0.2 0.625 103.9 52.5 -70.6 -10.0 -0.2 23.1 52.6 695 175 A R G < S+ 0 0 106 -3,-2.5 -1,-0.3 -4,-0.3 2,-0.3 0.311 106.5 60.6-102.3 -5.3 -3.7 22.0 51.8 696 176 A E S <> S- 0 0 74 -3,-1.6 4,-3.2 -4,-0.4 5,-0.2 -0.756 89.2 -51.5-125.4 169.6 -5.5 23.5 54.8 697 177 A E T 4 S+ 0 0 134 1,-0.3 -2,-0.1 -2,-0.3 -3,-0.0 -0.659 108.6 14.3 -83.9 144.8 -6.0 26.9 56.3 698 178 A P T >4 S+ 0 0 42 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 -0.998 127.1 47.2 -91.9 -2.9 -4.2 29.1 57.0 699 179 A W G >> S+ 0 0 11 1,-0.2 3,-3.0 -6,-0.2 4,-0.9 0.849 98.2 70.9 -67.1 -32.4 -1.1 27.9 55.1 700 180 A I G >< S+ 0 0 81 -4,-3.2 3,-1.1 -7,-0.4 -1,-0.2 0.912 95.1 54.3 -52.6 -40.3 -3.0 27.1 51.9 701 181 A H G <4 S+ 0 0 122 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.422 119.0 34.0 -75.2 4.0 -3.5 30.8 51.3 702 182 A H G <4 S+ 0 0 64 -3,-3.0 -1,-0.3 -20,-0.1 -2,-0.2 0.325 78.7 145.9-140.7 2.2 0.3 31.4 51.6 703 183 A A << - 0 0 35 -3,-1.1 3,-0.1 -4,-0.9 -20,-0.1 -0.257 48.0-125.2 -51.5 124.8 1.9 28.3 50.1 704 184 A P > - 0 0 8 0, 0.0 3,-1.7 0, 0.0 2,-0.1 -0.156 49.8 -71.8 -59.1 167.5 5.3 28.9 48.2 705 185 A Q T 3 S+ 0 0 152 1,-0.3 11,-0.3 7,-0.1 12,-0.2 -0.411 122.3 22.3 -73.7 134.1 5.3 27.6 44.7 706 186 A G T 3 S+ 0 0 46 1,-0.3 7,-0.7 -3,-0.1 2,-0.5 0.533 93.7 112.5 93.7 3.4 5.5 23.9 44.5 707 187 A f < 0 0 12 -3,-1.7 -1,-0.3 6,-0.2 -17,-0.1 -0.974 360.0 360.0-107.5 122.6 4.1 23.3 48.0 708 188 A G 0 0 69 -19,-1.6 -1,-0.2 -2,-0.5 -18,-0.2 0.674 360.0 360.0 121.5 360.0 0.6 21.6 47.9 709 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 710 196 C G > 0 0 71 0, 0.0 4,-1.1 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 121.0 9.2 18.5 45.0 711 197 C D H > + 0 0 112 1,-0.2 4,-2.5 2,-0.2 5,-0.4 0.938 360.0 68.0 -55.2 -48.4 12.3 20.6 44.9 712 198 C T H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.782 98.0 51.5 -47.1 -40.2 10.3 23.7 43.9 713 199 C f H > S+ 0 0 0 -7,-0.7 4,-2.7 -3,-0.5 -1,-0.2 0.981 116.1 40.2 -58.4 -52.2 8.6 23.8 47.3 714 200 C N H X S+ 0 0 68 -4,-1.1 4,-2.5 -3,-0.3 -2,-0.2 0.816 115.9 46.0 -71.4 -36.9 11.8 23.6 49.3 715 201 C E H X S+ 0 0 108 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.833 112.7 53.8 -79.0 -25.6 14.0 25.9 47.2 716 202 C E H X S+ 0 0 51 -4,-2.0 4,-3.0 -5,-0.4 5,-0.3 0.963 109.5 47.9 -64.1 -50.6 11.1 28.4 47.2 717 203 C T H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.950 113.9 48.1 -50.7 -52.5 11.0 28.2 51.0 718 204 C Q H X S+ 0 0 37 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.922 112.5 47.7 -52.6 -48.8 14.7 28.7 51.0 719 205 C N H X S+ 0 0 84 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.903 113.0 46.6 -68.7 -41.2 14.5 31.6 48.6 720 206 C L H X S+ 0 0 37 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.855 111.8 50.8 -68.4 -38.0 11.7 33.4 50.5 721 207 C S H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 -2,-0.2 0.894 110.6 50.1 -67.2 -41.0 13.4 33.0 53.9 722 208 C T H X S+ 0 0 21 -4,-2.4 4,-2.9 -5,-0.3 5,-0.2 0.895 110.4 49.4 -65.2 -36.1 16.7 34.4 52.4 723 209 C I H X S+ 0 0 77 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.967 111.2 49.9 -63.7 -47.4 14.8 37.4 51.0 724 210 C Y H X S+ 0 0 35 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.910 113.0 47.3 -59.2 -45.4 13.2 37.9 54.4 725 211 C L H X S+ 0 0 2 -4,-2.7 4,-2.8 2,-0.2 3,-0.4 0.941 108.9 51.5 -61.7 -49.2 16.6 37.7 56.0 726 212 C R H X S+ 0 0 60 -4,-2.9 4,-1.5 1,-0.3 -2,-0.2 0.905 110.2 51.8 -60.9 -37.9 18.5 40.1 53.6 727 213 C E H X S+ 0 0 103 -4,-2.4 4,-1.2 2,-0.2 -1,-0.3 0.881 109.5 46.8 -66.4 -35.2 15.8 42.7 54.1 728 214 C Y H X S+ 0 0 15 -4,-1.7 4,-1.6 -3,-0.4 3,-0.5 0.933 108.8 57.2 -72.3 -39.3 16.0 42.5 58.0 729 215 C Q H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.827 101.2 57.2 -59.9 -27.2 19.8 42.7 57.6 730 216 C S H X S+ 0 0 13 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.922 103.6 52.1 -69.6 -37.3 19.3 46.0 55.7 731 217 C K H X S+ 0 0 55 -4,-1.2 4,-0.8 -3,-0.5 -2,-0.2 0.868 111.9 46.9 -63.8 -37.7 17.4 47.5 58.7 732 218 C V H >X S+ 0 0 1 -4,-1.6 4,-3.0 2,-0.2 3,-0.6 0.920 111.4 50.2 -69.0 -46.4 20.4 46.5 61.0 733 219 C K H 3X>S+ 0 0 19 -4,-2.2 4,-2.5 1,-0.2 5,-0.6 0.895 105.7 56.9 -60.6 -37.6 22.9 48.0 58.5 734 220 C R H 3<5S+ 0 0 3 -4,-2.5 4,-0.3 -552,-0.3 -1,-0.2 0.797 113.2 43.4 -64.5 -26.4 20.9 51.3 58.4 735 221 C Q H <<5S+ 0 0 14 -4,-0.8 4,-0.4 -3,-0.6 -2,-0.2 0.959 123.1 30.9 -80.9 -58.3 21.4 51.3 62.2 736 222 C I H ><5S+ 0 0 44 -4,-3.0 3,-1.0 1,-0.2 4,-0.3 0.895 119.1 50.9 -78.7 -30.3 25.0 50.4 62.6 737 223 C F G ><5S+ 0 0 16 -4,-2.5 3,-1.6 -5,-0.3 4,-0.2 0.847 97.4 68.2 -74.5 -24.5 26.4 51.8 59.3 738 224 C S G > - 0 0 55 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 -0.802 29.6-171.4 -87.9 103.8 30.2 71.2 53.8 746 232 C I H > S+ 0 0 4 -2,-1.2 4,-2.1 1,-0.2 5,-0.3 0.885 76.3 59.4 -69.2 -39.1 29.1 71.2 50.2 747 233 C Y H > S+ 0 0 69 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.921 109.2 41.9 -59.8 -42.6 29.5 75.0 49.8 748 234 C N H 4 S+ 0 0 61 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.870 112.1 55.8 -78.9 -24.4 33.3 74.9 50.7 749 235 C R H < S+ 0 0 17 -4,-1.6 3,-0.4 1,-0.2 4,-0.2 0.901 117.3 34.6 -63.8 -43.5 33.9 71.8 48.5 750 236 C I H >< S+ 0 0 18 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.760 92.3 93.9 -81.7 -30.0 32.4 73.4 45.5 751 237 C R T 3< S+ 0 0 181 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.1 0.348 84.5 52.9 -50.4 2.2 33.7 76.9 46.3 752 238 C D T 3 S- 0 0 102 1,-0.5 -1,-0.3 -3,-0.4 2,-0.2 0.699 129.1 -42.3-105.1 -31.3 36.9 76.3 44.1 753 239 C E < 0 0 57 -3,-1.8 -1,-0.5 -4,-0.2 -690,-0.1 -0.802 360.0 360.0 172.1 159.3 34.9 75.2 40.9 754 240 C L 0 0 48 -2,-0.2 -3,-0.1 -3,-0.1 -4,-0.1 0.495 360.0 360.0 28.7 360.0 31.8 73.2 39.7