==== 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 13-JUN-95 1LTG . COMPND 2 MOLECULE: HEAT-LABILE ENTEROTOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.VAN DEN AKKER,W.G.J.HOL . 731 8 6 5 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29083.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 543 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 203 27.8 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 . 4 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 . 4 0.5 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 . 55 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 21.3 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+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 5 3 0 0 0 0 1 0 0 0 0 0 0 0 2 3 0 0 0 0 0 0 1 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 . 1 1 1 7 12 6 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 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 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 59 0, 0.0 7,-0.0 0, 0.0 138,-0.0 0.000 360.0 360.0 360.0 159.8 17.0 67.4 20.1 2 2 D P - 0 0 16 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.184 360.0-162.1 -59.6 150.7 14.0 66.7 17.7 3 3 D Q + 0 0 77 1,-0.1 2,-0.3 140,-0.1 149,-0.1 0.549 67.2 34.5-111.2 -14.5 10.4 67.3 18.8 4 4 D T S > S- 0 0 67 1,-0.1 4,-2.0 96,-0.0 3,-0.2 -0.956 81.3-111.7-135.0 159.1 8.1 65.3 16.5 5 5 D I H > S+ 0 0 3 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.865 117.1 57.3 -58.0 -35.3 8.5 61.9 14.7 6 6 D T H > S+ 0 0 56 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.903 107.4 46.9 -68.1 -35.3 8.7 63.6 11.3 7 7 D E H 4 S+ 0 0 101 -3,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.943 114.7 48.7 -68.6 -40.3 11.7 65.8 12.5 8 8 D L H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.921 108.4 51.4 -62.6 -48.5 13.3 62.7 13.9 9 9 D a H >< S+ 0 0 3 -4,-3.1 3,-1.3 1,-0.2 -1,-0.2 0.846 101.2 65.8 -61.3 -29.7 12.8 60.6 10.8 10 10 D S T 3< S+ 0 0 96 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.568 85.1 67.1 -74.6 -10.7 14.3 63.3 8.6 11 11 D E T < S+ 0 0 87 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.3 0.351 95.1 80.7 -85.2 5.2 17.8 63.0 10.1 12 12 D Y S X S- 0 0 47 -3,-1.3 3,-0.7 -4,-0.1 2,-0.2 -0.870 75.3-127.0-121.5 148.2 18.1 59.6 8.5 13 13 D R T 3 S+ 0 0 211 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.566 92.4 11.9 -87.1 145.8 18.8 58.1 5.0 14 14 D N T 3 S+ 0 0 82 -2,-0.2 75,-2.4 1,-0.2 76,-0.7 0.703 93.9 129.5 61.3 25.8 16.4 55.7 3.6 15 15 D T E < -A 88 0A 24 -3,-0.7 2,-0.3 73,-0.3 73,-0.2 -0.427 34.0-172.4 -94.8 177.3 13.6 56.3 6.1 16 16 D Q E -A 87 0A 83 71,-1.2 71,-2.7 -2,-0.1 2,-0.5 -0.921 21.5-126.1-165.6 146.0 9.9 57.1 5.3 17 17 D I E -A 86 0A 50 -2,-0.3 2,-0.5 69,-0.2 69,-0.2 -0.881 22.0-169.3 -99.8 129.3 6.8 58.2 7.4 18 18 D Y E -A 85 0A 62 67,-2.5 67,-2.2 -2,-0.5 2,-0.7 -0.971 14.3-145.1-111.7 132.8 3.7 56.1 7.0 19 19 D T E +A 84 0A 96 -2,-0.5 65,-0.2 65,-0.2 64,-0.1 -0.896 28.8 164.7 -97.1 121.5 0.6 57.4 8.5 20 20 D I E - 0 0 25 63,-2.7 63,-0.2 -2,-0.7 -1,-0.2 0.901 16.0-175.1 -96.6 -62.8 -1.4 54.5 9.8 21 21 D N E + 0 0 106 61,-1.4 2,-0.3 62,-1.0 62,-0.2 0.961 54.9 99.1 52.5 59.4 -4.2 55.7 12.2 22 22 D D E S-A 82 0A 26 60,-1.4 60,-2.7 58,-0.1 -1,-0.2 -0.990 73.5-109.9-165.2 154.3 -5.1 52.1 13.0 23 23 D K - 0 0 62 -2,-0.3 2,-0.4 58,-0.3 20,-0.3 -0.233 52.8 -83.7 -79.2 178.3 -4.7 49.4 15.6 24 24 D I - 0 0 2 56,-0.3 18,-0.2 51,-0.2 3,-0.1 -0.711 31.6-164.7 -90.0 141.0 -2.6 46.3 14.8 25 25 D L S S+ 0 0 52 16,-2.6 494,-3.0 -2,-0.4 2,-0.3 0.922 73.1 5.5 -82.4 -52.6 -4.3 43.4 13.0 26 26 D S E -BC 41 518A 27 15,-1.6 15,-2.2 492,-0.2 2,-0.4 -0.970 56.8-161.5-137.9 156.7 -1.7 40.7 13.6 27 27 D Y E -BC 40 517A 1 490,-2.1 490,-2.1 -2,-0.3 2,-0.4 -0.994 9.0-172.2-134.8 123.7 1.5 40.4 15.7 28 28 D T E -BC 39 516A 11 11,-2.8 11,-2.7 -2,-0.4 2,-0.4 -0.985 3.2-170.3-122.9 135.0 4.0 37.6 14.9 29 29 D E E -BC 38 515A 3 486,-2.2 486,-2.2 -2,-0.4 2,-0.4 -0.979 5.4-165.5-122.4 137.5 6.9 37.0 17.3 30 30 D S E +BC 37 514A 4 7,-1.9 7,-1.1 -2,-0.4 484,-0.3 -0.960 28.3 177.9-135.2 129.9 9.8 34.6 16.5 31 31 D M E +B 36 0A 0 482,-2.7 5,-0.2 -2,-0.4 483,-0.2 0.069 45.2 135.8-104.5 22.4 12.7 33.0 18.5 32 32 D A E > S-B 35 0A 2 3,-0.7 3,-2.2 481,-0.4 -2,-0.1 -0.419 70.7 -87.5 -71.9 147.7 14.0 31.1 15.4 33 33 D G T 3 S- 0 0 18 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 -0.348 111.1 -2.1 -64.7 131.9 17.8 31.2 15.0 34 34 D K T 3 S+ 0 0 153 1,-0.1 -1,-0.3 -3,-0.1 18,-0.1 0.483 126.2 77.6 66.4 3.0 18.9 34.3 13.0 35 35 D R E < +B 32 0A 64 -3,-2.2 -3,-0.7 16,-0.1 2,-0.5 -0.233 51.8 140.9-131.9 42.0 15.2 35.1 12.7 36 36 D E E +B 31 0A 8 -5,-0.2 2,-0.3 17,-0.1 -5,-0.2 -0.812 39.0 112.6 -82.5 123.5 14.5 36.5 16.2 37 37 D M E -B 30 0A 5 -7,-1.1 -7,-1.9 -2,-0.5 2,-0.4 -0.930 62.3-116.9 176.6 158.0 12.1 39.4 15.3 38 38 D V E -BD 29 50A 1 12,-0.8 12,-2.0 -2,-0.3 2,-0.4 -0.912 23.0-165.8-114.2 147.7 8.5 40.7 15.5 39 39 D I E -BD 28 49A 4 -11,-2.7 -11,-2.8 -2,-0.4 2,-0.3 -0.978 7.6-171.6-126.8 134.3 6.4 41.3 12.4 40 40 D I E -BD 27 48A 2 8,-2.6 8,-2.4 -2,-0.4 2,-0.3 -0.981 2.2-166.1-126.6 158.5 3.1 43.3 12.5 41 41 D T E -BD 26 47A 23 -15,-2.2 -16,-2.6 -2,-0.3 -15,-1.6 -0.949 7.0-153.4-138.7 153.1 0.4 43.9 10.0 42 42 D F > - 0 0 1 4,-1.6 3,-1.8 -2,-0.3 -18,-0.1 -0.732 40.1 -97.3-116.7 167.3 -2.5 46.3 9.5 43 43 D K T 3 S+ 0 0 158 -20,-0.3 -1,-0.0 1,-0.3 -19,-0.0 0.920 119.9 60.9 -53.8 -42.9 -5.9 45.8 7.6 44 44 D S T 3 S- 0 0 87 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.340 119.8-105.1 -72.6 8.9 -4.5 47.6 4.6 45 45 D G < + 0 0 51 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.522 68.4 147.5 84.1 2.4 -1.7 45.1 4.1 46 46 D E - 0 0 54 47,-0.0 -4,-1.6 2,-0.0 2,-0.4 -0.591 26.6-170.3 -66.9 134.0 1.2 47.1 5.4 47 47 D T E +D 41 0A 29 -2,-0.3 47,-0.6 -6,-0.2 2,-0.3 -0.999 7.2 176.4-126.3 130.5 3.6 44.6 7.0 48 48 D F E -De 40 94A 1 -8,-2.4 -8,-2.6 -2,-0.4 2,-0.3 -0.917 11.6-152.2-132.5 161.3 6.6 45.9 9.1 49 49 D Q E -De 39 95A 11 45,-2.3 47,-2.0 -2,-0.3 2,-0.6 -0.855 20.8-134.0-127.5 158.5 9.3 44.2 11.1 50 50 D V E -D 38 0A 1 -12,-2.0 -12,-0.8 -2,-0.3 47,-0.1 -0.981 50.9-125.5-104.0 122.3 11.6 45.0 14.1 51 51 D E - 0 0 15 -2,-0.6 -13,-0.1 45,-0.2 -16,-0.1 -0.290 21.9 -87.1 -70.7 168.4 14.7 43.7 12.6 52 52 D V - 0 0 35 -18,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.407 48.7-107.7 -72.5 135.8 17.1 41.1 14.0 53 53 D P + 0 0 38 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.478 66.9 113.4 -63.1 136.1 19.8 42.6 16.3 54 54 D G S > S- 0 0 20 -2,-0.2 3,-2.7 4,-0.1 2,-1.2 -0.988 70.8 -35.6 173.8 176.8 23.3 42.6 14.6 55 55 D S T 3 S+ 0 0 125 1,-0.3 3,-0.1 -2,-0.3 0, 0.0 -0.379 116.9 62.9 -69.2 93.6 26.3 44.5 13.1 56 56 D Q T 3 S+ 0 0 136 -2,-1.2 2,-0.3 1,-0.4 -1,-0.3 -0.110 93.4 80.1-176.6 -42.6 24.5 47.4 11.6 57 57 D H S < S- 0 0 14 -3,-2.7 -1,-0.4 1,-0.0 2,-0.2 -0.627 78.4-129.4 -89.1 139.6 23.3 48.5 14.9 58 58 D I >> - 0 0 65 -2,-0.3 3,-2.1 -3,-0.1 4,-1.0 -0.558 35.4-106.6 -80.4 149.9 25.2 50.5 17.4 59 59 D D H 3> S+ 0 0 136 1,-0.3 4,-0.9 -2,-0.2 3,-0.3 0.854 118.9 58.2 -52.4 -37.2 25.2 48.9 20.9 60 60 D S H 3> S+ 0 0 40 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.781 100.1 60.8 -66.4 -20.5 22.8 51.5 22.4 61 61 D Q H X> S+ 0 0 11 -3,-2.1 4,-3.0 2,-0.2 3,-0.6 0.946 89.9 69.4 -71.5 -38.3 20.3 50.5 19.7 62 62 D K H 3X S+ 0 0 66 -4,-1.0 4,-1.9 -3,-0.3 -2,-0.2 0.891 101.2 44.7 -40.3 -57.2 20.2 46.9 21.0 63 63 D K H 3X S+ 0 0 33 -4,-0.9 4,-1.9 1,-0.2 -1,-0.3 0.872 113.3 50.1 -64.9 -31.2 18.4 47.9 24.2 64 64 D A H S+ 0 0 0 -4,-2.6 5,-1.7 2,-0.2 4,-0.8 0.978 113.2 42.8 -60.1 -44.7 -0.1 48.2 21.7 76 76 D Y H ><5S+ 0 0 10 -4,-1.7 3,-1.0 -5,-0.2 -2,-0.2 0.932 114.6 48.4 -62.0 -50.2 -1.5 45.1 20.0 77 77 D L H 3<5S+ 0 0 18 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.842 117.8 41.1 -66.5 -28.1 -2.9 43.5 23.0 78 78 D T H 3<5S- 0 0 12 -4,-2.2 -1,-0.3 -3,-0.2 -2,-0.2 0.398 102.2-129.7 -96.0 -3.2 -4.7 46.8 24.1 79 79 D E T <<5 + 0 0 87 -3,-1.0 -3,-0.2 -4,-0.8 2,-0.1 0.792 45.0 168.1 55.5 32.2 -5.8 47.8 20.5 80 80 D T < - 0 0 20 -5,-1.7 -56,-0.3 -6,-0.3 2,-0.3 -0.493 38.3-112.6 -70.3 146.3 -4.3 51.2 21.0 81 81 D K - 0 0 105 -58,-0.1 2,-0.5 21,-0.1 21,-0.4 -0.606 21.4-137.6 -88.3 142.6 -4.3 53.0 17.6 82 82 D I E -A 22 0A 1 -60,-2.7 -60,-1.4 -2,-0.3 -61,-1.4 -0.808 14.0-168.4 -91.7 131.8 -0.9 53.8 16.0 83 83 D D E - 0 0 40 17,-2.3 -63,-2.7 -2,-0.5 -62,-1.0 0.957 62.2 -5.4 -81.4 -70.9 -0.6 57.3 14.5 84 84 D K E -AF 19 100A 56 16,-0.7 16,-2.1 -65,-0.2 2,-0.4 -0.887 52.7-155.9-133.1 157.3 2.7 57.3 12.4 85 85 D L E -AF 18 99A 0 -67,-2.2 -67,-2.5 -2,-0.3 2,-0.6 -0.985 7.2-154.7-129.9 132.5 5.6 55.0 11.7 86 86 D a E +AF 17 98A 0 12,-2.1 11,-3.0 -2,-0.4 12,-1.5 -0.971 31.5 178.5-105.5 121.1 9.1 56.1 10.6 87 87 D V E -AF 16 96A 0 -71,-2.7 -71,-1.2 -2,-0.6 2,-0.7 -0.826 35.4-117.0-122.6 161.2 10.4 53.0 8.8 88 88 D W E > -AF 15 95A 34 7,-2.2 7,-1.6 -2,-0.3 3,-0.7 -0.922 25.7-167.8-101.6 114.7 13.6 52.2 6.9 89 89 D N T 3 + 0 0 59 -75,-2.4 -74,-0.1 -2,-0.7 -1,-0.1 0.401 67.3 88.9 -85.0 -2.4 12.5 51.5 3.3 90 90 D N T 3 S+ 0 0 92 -76,-0.7 2,-0.3 5,-0.1 -1,-0.2 0.675 91.6 45.5 -73.3 -10.8 15.8 50.0 2.1 91 91 D K S < S- 0 0 61 -3,-0.7 4,-0.1 4,-0.1 -3,-0.1 -0.926 88.4 -92.5-131.4 156.1 14.6 46.5 3.2 92 92 D T S S+ 0 0 84 -2,-0.3 2,-0.1 2,-0.1 -44,-0.1 -0.927 110.8 27.5-114.6 138.1 11.6 44.2 3.0 93 93 D P S S- 0 0 2 0, 0.0 -45,-0.2 0, 0.0 -1,-0.1 0.697 111.0-109.6 -61.0 153.7 9.6 44.2 5.2 94 94 D N E -e 48 0A 24 -47,-0.6 -45,-2.3 -2,-0.1 2,-0.2 -0.294 31.1-123.5 -57.0 138.5 10.3 47.8 6.2 95 95 D S E -eF 49 88A 0 -7,-1.6 -7,-2.2 -47,-0.2 2,-0.3 -0.606 21.5-119.4 -82.6 140.6 12.1 48.1 9.5 96 96 D I E + F 0 87A 0 -47,-2.0 -45,-0.2 -2,-0.2 -9,-0.2 -0.646 35.9 166.4 -87.8 140.1 10.6 50.3 12.3 97 97 D A E - 0 0 0 -11,-3.0 38,-2.6 1,-0.6 39,-0.7 0.663 66.4 -0.9-115.7 -29.0 12.6 53.2 13.4 98 98 D A E -GF 134 86A 0 -12,-1.5 -12,-2.1 36,-0.2 -1,-0.6 -0.954 58.9-160.8-162.0 156.3 10.2 55.2 15.4 99 99 D I E -GF 133 85A 0 34,-1.9 34,-2.7 -2,-0.3 2,-0.3 -0.981 1.9-167.6-147.5 139.7 6.5 55.1 16.4 100 100 D S E -GF 132 84A 4 -16,-2.1 -17,-2.3 -2,-0.3 -16,-0.7 -0.976 2.0-173.5-128.8 154.7 3.9 57.7 17.6 101 101 D M E -G 131 0A 0 30,-2.0 30,-1.8 -2,-0.3 2,-0.4 -0.967 8.7-164.6-139.1 148.7 0.4 57.2 19.1 102 102 D K E G 130 0A 135 -21,-0.4 28,-0.2 -2,-0.3 -21,-0.1 -0.999 360.0 360.0-147.2 138.6 -2.1 59.9 20.0 103 103 D N 0 0 70 26,-2.2 26,-0.2 -2,-0.4 27,-0.1 0.356 360.0 360.0-130.7 360.0 -5.3 60.3 22.0 104 !* 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 54 0, 0.0 7,-0.1 0, 0.0 138,-0.0 0.000 360.0 360.0 360.0 159.6 16.0 62.4 51.7 106 2 E P - 0 0 3 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.188 360.0-162.1 -47.5 135.8 13.5 64.7 49.7 107 3 E Q S S+ 0 0 76 1,-0.1 2,-0.3 140,-0.0 149,-0.1 0.456 70.8 26.0-102.4 -1.7 9.9 64.0 50.8 108 4 E T S > S- 0 0 69 1,-0.1 4,-2.7 147,-0.0 5,-0.2 -0.982 81.5-109.9-152.4 162.2 8.2 65.5 47.7 109 5 E I H > S+ 0 0 9 -2,-0.3 4,-1.8 2,-0.2 5,-0.2 0.770 119.0 56.0 -65.3 -25.0 9.0 66.2 44.1 110 6 E T H > S+ 0 0 65 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.950 111.0 43.4 -75.4 -39.7 9.2 69.9 44.8 111 7 E E H > S+ 0 0 90 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.937 116.7 47.8 -65.6 -45.2 11.8 69.3 47.5 112 8 E L H < S+ 0 0 0 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.766 111.3 48.8 -68.0 -30.8 13.6 66.9 45.3 113 9 E b H >< S+ 0 0 2 -4,-1.8 3,-1.6 1,-0.2 -1,-0.2 0.906 103.0 63.9 -80.5 -33.6 13.6 69.2 42.3 114 10 E S H 3< S+ 0 0 97 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.579 89.1 66.0 -64.9 -15.5 14.9 72.1 44.3 115 11 E E T 3< S+ 0 0 79 -4,-0.5 2,-0.3 -3,-0.4 -1,-0.3 0.302 93.2 76.7 -88.3 16.3 18.2 70.5 45.1 116 12 E Y S X S- 0 0 58 -3,-1.6 3,-0.5 124,-0.0 2,-0.4 -0.853 80.8-113.1-123.1 158.4 19.4 70.5 41.4 117 13 E R T 3 S+ 0 0 219 -2,-0.3 -2,-0.1 1,-0.2 -3,-0.0 -0.774 93.5 9.3 -96.3 133.4 20.7 73.2 39.1 118 14 E N T 3 S+ 0 0 85 -2,-0.4 75,-0.5 1,-0.2 76,-0.4 0.860 90.9 136.2 68.4 48.9 18.6 74.3 36.2 119 15 E T E < -H 192 0A 31 -3,-0.5 2,-0.4 73,-0.2 -1,-0.2 -0.822 32.8-163.8-116.9 161.0 15.4 72.5 37.0 120 16 E Q E -H 191 0A 82 71,-2.0 71,-2.4 -2,-0.3 2,-0.3 -0.989 16.7-132.9-146.8 131.3 11.8 73.6 36.8 121 17 E I E -H 190 0A 48 -2,-0.4 2,-0.4 69,-0.2 69,-0.2 -0.596 20.6-167.6 -73.1 139.3 8.5 72.3 38.3 122 18 E Y E -H 189 0A 53 67,-1.9 67,-2.1 -2,-0.3 2,-0.5 -0.985 13.3-148.5-128.4 119.6 5.6 72.1 35.8 123 19 E T E +H 188 0A 88 -2,-0.4 65,-0.2 65,-0.2 64,-0.1 -0.830 29.3 164.7 -84.1 124.6 2.2 71.5 37.2 124 20 E I E - 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0 0 21 -3,-1.7 2,-0.7 -4,-0.3 -3,-0.0 -0.479 43.2-166.9 -76.9 116.9 2.2 45.1 31.7 730 228 C S - 0 0 13 -2,-0.6 -1,-0.1 -660,-0.1 -656,-0.1 -0.829 13.5-134.5-112.7 116.9 5.4 43.1 31.4 731 229 C E - 0 0 23 -2,-0.7 2,-0.3 1,-0.1 -456,-0.0 -0.141 15.6-137.3 -73.6 142.7 8.2 44.1 33.7 732 230 C V - 0 0 16 -561,-0.0 2,-1.6 1,-0.0 3,-0.2 -0.618 15.5-125.2 -95.1 140.3 11.7 44.4 32.4 733 231 C D >> - 0 0 72 -2,-0.3 4,-0.7 1,-0.2 3,-0.6 -0.717 30.3-171.5 -87.3 99.9 15.0 43.2 33.9 734 232 C I H >> S+ 0 0 4 -2,-1.6 4,-1.2 1,-0.2 3,-0.7 0.864 78.0 59.0 -55.1 -39.0 16.5 46.7 33.7 735 233 C Y H 34 S+ 0 0 78 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.841 103.0 46.9 -66.9 -34.8 19.8 45.1 34.7 736 234 C N H <4 S+ 0 0 69 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.557 114.4 45.3 -90.3 -3.5 20.3 42.6 31.9 737 235 C R H << 0 0 33 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.630 360.0 360.0-107.1 -14.4 19.4 45.0 29.0 738 236 C I < 0 0 86 -4,-1.2 -3,-0.1 -5,-0.2 -675,-0.1 0.651 360.0 360.0 -99.7 360.0 21.5 48.1 30.1