==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 27-SEP-10 2XSC . COMPND 2 MOLECULE: SHIGA-LIKE TOXIN 1 SUBUNIT B; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.E.STEIN,A.BOODHOO,G.J.TYRRELL,J.L.BRUNTON,R.D.OEFFNER,G.BU . 345 5 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14383.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 84.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 141 40.9 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 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 . 44 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 0 0 0 0 0 0 1 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 4 5 15 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 . 0 1 1 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 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 T 0 0 77 0, 0.0 2,-0.1 0, 0.0 54,-0.0 0.000 360.0 360.0 360.0 132.8 1.7 39.0 -28.4 2 2 A P - 0 0 83 0, 0.0 52,-1.4 0, 0.0 0, 0.0 -0.355 360.0-101.6 -70.4 144.5 -1.9 37.7 -28.4 3 3 A D E +A 53 0A 91 50,-0.2 50,-0.2 1,-0.2 3,-0.1 -0.311 35.9 178.4 -54.5 140.9 -3.0 34.9 -26.1 4 4 A a E - 0 0 21 48,-2.6 2,-0.3 1,-0.4 49,-0.2 0.685 62.0 -11.6-110.0 -55.6 -3.2 31.5 -27.9 5 5 A V E -A 52 0A 17 47,-1.5 47,-2.8 20,-0.1 -1,-0.4 -0.998 50.0-162.1-151.7 148.9 -4.3 29.1 -25.1 6 6 A T E +A 51 0A 75 -2,-0.3 2,-0.3 45,-0.2 45,-0.2 -0.995 43.4 84.2-131.8 136.8 -4.6 28.9 -21.3 7 7 A G E S-A 50 0A 19 43,-2.6 43,-2.9 -2,-0.4 2,-0.2 -0.981 74.2 -47.9 163.3-174.2 -4.8 25.7 -19.3 8 8 A K E -A 49 0A 141 -2,-0.3 2,-0.7 41,-0.2 17,-0.6 -0.606 59.2-102.8 -84.0 154.0 -2.9 23.0 -17.6 9 9 A V E -C 24 0B 11 39,-0.6 15,-0.2 -2,-0.2 3,-0.1 -0.674 34.3-172.4 -75.6 115.0 -0.1 21.2 -19.4 10 10 A E E - 0 0 108 13,-3.0 2,-0.3 -2,-0.7 -1,-0.2 0.876 65.5 -25.1 -80.2 -38.8 -1.7 17.8 -20.4 11 11 A Y E -C 23 0B 28 12,-0.7 12,-2.1 338,-0.1 -1,-0.3 -0.969 55.6-142.5-162.4 166.5 1.5 16.4 -21.7 12 12 A T E -CD 22 348B 0 336,-1.6 336,-2.3 -2,-0.3 2,-0.4 -0.914 11.9-159.8-128.4 156.3 4.9 17.3 -23.1 13 13 A K E -CD 21 347B 30 8,-2.1 8,-2.9 -2,-0.3 2,-0.6 -0.991 12.5-144.7-141.1 130.2 7.0 15.7 -25.7 14 14 A Y E -CD 20 346B 1 332,-2.9 332,-1.5 -2,-0.4 6,-0.2 -0.865 31.1-146.4 -94.0 127.4 10.7 15.9 -26.5 15 15 A N > - 0 0 22 4,-2.6 3,-2.0 -2,-0.6 330,-0.0 -0.514 22.2-112.5 -97.8 163.2 11.2 15.7 -30.2 16 16 A D T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -2,-0.2 329,-0.1 0.749 117.4 55.2 -64.6 -25.9 13.8 14.3 -32.5 17 17 A D T 3 S- 0 0 105 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.218 121.5-107.7 -91.5 15.2 14.8 17.8 -33.6 18 18 A D S < S+ 0 0 65 -3,-2.0 -2,-0.1 1,-0.3 2,-0.1 0.595 80.4 128.2 67.8 13.5 15.4 18.7 -30.0 19 19 A T - 0 0 16 11,-0.0 -4,-2.6 18,-0.0 2,-0.4 -0.425 53.6-130.6 -87.4 172.6 12.3 20.9 -29.9 20 20 A F E -CE 14 31B 0 11,-2.0 11,-2.2 -6,-0.2 2,-0.3 -0.993 14.1-155.0-134.6 131.1 9.8 20.5 -27.2 21 21 A T E -CE 13 30B 12 -8,-2.9 -8,-2.1 -2,-0.4 2,-0.4 -0.785 7.1-170.4-110.2 143.6 6.0 20.1 -27.5 22 22 A V E -CE 12 29B 0 7,-2.8 7,-2.5 -2,-0.3 2,-0.6 -0.967 14.6-145.7-127.4 147.7 3.3 20.9 -25.0 23 23 A K E +CE 11 28B 38 -12,-2.1 -13,-3.0 -2,-0.4 -12,-0.7 -0.976 28.3 163.4-111.1 115.1 -0.4 20.2 -25.2 24 24 A V E > -CE 9 27B 0 3,-2.1 3,-2.1 -2,-0.6 2,-0.2 -0.999 64.1 -26.8-131.0 133.9 -2.5 22.8 -23.5 25 25 A G T 3 S- 0 0 44 -17,-0.6 -20,-0.1 -2,-0.4 -18,-0.1 -0.465 126.0 -32.6 62.4-127.4 -6.2 23.1 -24.2 26 26 A D T 3 S+ 0 0 111 -2,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.162 119.0 94.6-108.0 17.8 -6.8 21.6 -27.6 27 27 A K E < -E 24 0B 43 -3,-2.1 -3,-2.1 31,-0.1 2,-0.6 -0.917 56.3-155.9-119.2 135.5 -3.5 22.7 -29.1 28 28 A E E +E 23 0B 66 -2,-0.4 32,-3.0 -5,-0.2 33,-0.5 -0.949 29.9 170.8 -98.6 119.2 -0.1 21.0 -29.5 29 29 A L E -Ef 22 61B 1 -7,-2.5 -7,-2.8 -2,-0.6 2,-0.3 -0.891 16.2-151.1-125.6 160.3 2.5 23.7 -29.8 30 30 A F E -Ef 21 62B 65 31,-2.7 33,-2.0 -2,-0.3 2,-0.4 -0.914 3.5-157.7-131.7 159.2 6.3 23.6 -29.7 31 31 A T E -E 20 0B 0 -11,-2.2 -11,-2.0 -2,-0.3 33,-0.1 -0.985 14.3-157.7-132.0 146.7 9.2 25.7 -28.7 32 32 A N + 0 0 111 -2,-0.4 2,-0.9 31,-0.4 3,-0.1 0.264 66.5 107.3-101.9 8.8 12.8 25.7 -29.8 33 33 A R > - 0 0 74 30,-0.4 3,-1.5 1,-0.2 4,-0.4 -0.767 54.0-166.0 -85.3 106.2 13.9 27.5 -26.7 34 34 A W G > S+ 0 0 123 -2,-0.9 3,-1.6 1,-0.3 4,-0.5 0.833 81.5 65.7 -68.6 -29.7 15.7 24.8 -24.8 35 35 A N G 3 S+ 0 0 29 1,-0.3 4,-0.5 2,-0.1 -1,-0.3 0.684 95.1 60.1 -60.5 -22.2 15.7 26.7 -21.5 36 36 A L G <> S+ 0 0 3 -3,-1.5 4,-2.5 1,-0.2 -1,-0.3 0.649 84.1 83.0 -82.8 -13.0 11.9 26.6 -21.4 37 37 A Q H <> S+ 0 0 4 -3,-1.6 4,-2.3 -4,-0.4 5,-0.2 0.919 92.5 42.1 -59.3 -49.6 11.9 22.7 -21.3 38 38 A S H > S+ 0 0 54 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.820 114.4 53.2 -70.6 -28.5 12.4 22.2 -17.6 39 39 A L H > S+ 0 0 6 -4,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.915 110.6 46.2 -69.8 -42.8 10.0 25.1 -16.8 40 40 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.900 112.0 50.9 -66.8 -39.5 7.3 23.5 -18.9 41 41 A L H X S+ 0 0 4 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.935 110.7 49.6 -62.2 -44.8 7.9 20.1 -17.4 42 42 A S H X S+ 0 0 45 -4,-2.2 4,-2.6 1,-0.2 6,-0.3 0.884 108.0 54.0 -61.0 -38.1 7.7 21.6 -13.8 43 43 A A H X>S+ 0 0 0 -4,-2.2 5,-1.6 1,-0.2 4,-1.4 0.938 110.6 46.9 -62.7 -41.8 4.5 23.3 -14.8 44 44 A Q H <5S+ 0 0 21 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.914 113.7 47.4 -62.0 -48.9 3.1 19.9 -15.9 45 45 A I H <5S+ 0 0 58 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.866 117.7 39.5 -60.9 -44.0 4.3 18.2 -12.7 46 46 A T H <5S- 0 0 98 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.625 107.5-121.2 -90.0 -9.8 3.0 20.7 -10.3 47 47 A G T <5 + 0 0 34 -4,-1.4 -3,-0.2 -5,-0.2 -4,-0.1 0.767 49.9 165.2 75.4 31.4 -0.3 21.4 -12.1 48 48 A M < - 0 0 47 -5,-1.6 -39,-0.6 -6,-0.3 2,-0.5 -0.366 38.8-116.5 -70.3 158.7 0.2 25.1 -12.7 49 49 A T E -A 8 0A 54 20,-0.7 20,-2.9 -41,-0.2 2,-0.3 -0.822 34.6-167.8 -93.6 130.5 -1.9 26.9 -15.2 50 50 A V E -AB 7 68A 0 -43,-2.9 -43,-2.6 -2,-0.5 2,-0.5 -0.920 16.4-151.3-119.8 152.4 -0.0 28.4 -18.1 51 51 A T E -AB 6 67A 0 16,-2.3 16,-2.7 -2,-0.3 2,-0.5 -0.992 14.3-155.6-114.6 125.5 -0.9 30.9 -20.8 52 52 A I E -AB 5 66A 0 -47,-2.8 -48,-2.6 -2,-0.5 -47,-1.5 -0.894 5.7-157.3-103.9 129.2 1.0 30.4 -24.1 53 53 A K E +AB 3 65A 48 12,-2.5 12,-0.8 -2,-0.5 11,-0.6 -0.923 29.9 133.8-106.4 124.8 1.3 33.5 -26.3 54 54 A T - 0 0 12 -52,-1.4 3,-0.2 -2,-0.5 9,-0.1 -0.953 52.9-137.4-161.2 154.5 1.9 33.2 -30.0 55 55 A N S S+ 0 0 149 -2,-0.3 2,-0.1 1,-0.2 8,-0.1 0.211 101.8 69.2 -93.3 13.7 0.7 34.5 -33.4 56 56 A A + 0 0 25 6,-0.3 2,-2.0 2,-0.1 -1,-0.2 -0.505 65.7 167.1-123.8 63.6 0.8 31.0 -34.7 57 57 A a + 0 0 52 -3,-0.2 2,-0.3 -2,-0.1 -28,-0.1 -0.487 37.3 97.2 -92.0 71.2 -2.1 29.6 -32.7 58 58 A H S > S- 0 0 106 -2,-2.0 3,-2.6 -30,-0.1 -31,-0.1 -0.945 87.4 -71.8-144.0 160.8 -2.6 26.3 -34.5 59 59 A N T 3 S+ 0 0 98 -2,-0.3 -30,-0.2 1,-0.3 3,-0.1 -0.349 124.6 22.8 -54.9 134.6 -1.5 22.7 -33.9 60 60 A G T 3 S+ 0 0 46 -32,-3.0 -1,-0.3 1,-0.3 -31,-0.2 0.441 94.2 141.4 80.3 -1.5 2.1 22.5 -34.7 61 61 A G E < -f 29 0B 2 -3,-2.6 -31,-2.7 -33,-0.5 -1,-0.3 -0.337 47.4-123.5 -68.2 154.6 2.6 26.2 -34.1 62 62 A G E +f 30 0B 27 -33,-0.2 -6,-0.3 -3,-0.1 2,-0.3 -0.687 28.0 179.4 -99.8 152.0 5.7 27.6 -32.4 63 63 A F + 0 0 8 -33,-2.0 -30,-0.4 -2,-0.3 -31,-0.4 -0.972 25.1 175.5-145.2 158.1 5.9 29.7 -29.3 64 64 A S + 0 0 30 -11,-0.6 2,-0.5 -2,-0.3 20,-0.3 0.270 65.1 83.2-138.0 0.1 8.5 31.3 -27.1 65 65 A E E +B 53 0A 26 -12,-0.8 -12,-2.5 18,-0.1 2,-0.3 -0.945 49.7 165.2-117.7 125.9 6.3 33.3 -24.7 66 66 A V E -B 52 0A 5 -2,-0.5 16,-0.7 16,-0.5 2,-0.5 -0.983 21.7-156.8-137.3 142.9 4.7 31.7 -21.6 67 67 A I E -B 51 0A 16 -16,-2.7 -16,-2.3 -2,-0.3 2,-0.6 -0.990 11.4-150.5-120.9 126.8 3.1 33.0 -18.5 68 68 A F E B 50 0A 26 -2,-0.5 -18,-0.2 12,-0.3 -2,-0.0 -0.866 360.0 360.0 -99.0 121.9 2.9 30.8 -15.4 69 69 A R 0 0 179 -20,-2.9 -20,-0.7 -2,-0.6 11,-0.0 -0.643 360.0 360.0-108.2 360.0 -0.1 31.6 -13.3 70 !* 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 71 1 B T 0 0 87 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 135.6 24.2 51.0 -10.5 72 2 B P - 0 0 68 0, 0.0 52,-1.7 0, 0.0 2,-0.1 -0.494 360.0 -95.1 -82.0 155.7 21.1 52.0 -8.5 73 3 B D E +I 123 0C 97 50,-0.2 50,-0.2 -2,-0.2 3,-0.1 -0.413 41.4 174.4 -60.9 138.5 18.2 49.8 -7.6 74 4 B b E - 0 0 21 48,-2.7 2,-0.3 1,-0.4 49,-0.2 0.736 57.5 -4.2-115.5 -51.6 15.3 50.1 -10.1 75 5 B V E -I 122 0C 21 47,-1.6 47,-3.0 20,-0.1 2,-0.4 -0.998 49.7-161.3-152.6 143.7 12.6 47.7 -9.2 76 6 B T E +I 121 0C 80 -2,-0.3 2,-0.3 45,-0.2 45,-0.2 -0.995 44.1 85.6-124.2 130.0 12.0 44.9 -6.7 77 7 B G E S-I 120 0C 18 43,-2.6 43,-2.7 -2,-0.4 2,-0.2 -0.977 73.9 -51.1 170.1-171.7 9.3 42.2 -7.1 78 8 B K E -I 119 0C 134 -2,-0.3 2,-0.7 41,-0.2 17,-0.6 -0.522 58.1-102.1 -85.6 155.7 8.6 38.8 -8.6 79 9 B V E -O 94 0D 12 39,-0.5 15,-0.2 -2,-0.2 3,-0.1 -0.730 35.3-171.8 -77.8 110.4 9.2 38.0 -12.3 80 10 B E E - 0 0 100 13,-2.6 -12,-0.3 -2,-0.7 2,-0.3 0.859 61.7 -28.4 -78.1 -37.4 5.7 38.3 -13.9 81 11 B Y E -O 93 0D 41 12,-0.7 12,-1.7 -14,-0.1 2,-0.3 -0.977 55.4-136.0-167.5 171.4 6.8 37.0 -17.3 82 12 B T E -O 92 0D 7 -16,-0.7 -16,-0.5 -2,-0.3 2,-0.3 -0.937 12.2-166.0-140.1 162.7 9.7 36.7 -19.7 83 13 B K E -O 91 0D 47 8,-2.0 8,-2.8 -2,-0.3 2,-0.7 -0.989 18.4-138.3-157.5 126.9 10.1 37.2 -23.5 84 14 B Y E -O 90 0D 19 -2,-0.3 6,-0.2 -20,-0.3 2,-0.1 -0.851 30.6-148.5 -89.7 118.2 12.8 36.3 -26.1 85 15 B N > - 0 0 37 4,-2.6 3,-1.5 -2,-0.7 4,-0.1 -0.460 21.7-114.4 -86.0 160.4 13.2 39.2 -28.5 86 16 B D T 3 S+ 0 0 170 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.846 114.2 60.2 -58.8 -38.3 14.1 39.1 -32.1 87 17 B D T 3 S- 0 0 107 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.238 122.3-103.1 -78.1 16.3 17.4 40.9 -31.5 88 18 B D S < S+ 0 0 98 -3,-1.5 2,-0.2 1,-0.3 -2,-0.1 0.814 83.4 125.0 60.6 33.3 18.5 38.0 -29.1 89 19 B T - 0 0 16 -4,-0.1 -4,-2.6 14,-0.0 2,-0.4 -0.702 55.1-129.8-110.9 174.6 17.9 40.0 -26.0 90 20 B F E -OP 84 101D 0 11,-1.9 11,-2.5 -2,-0.2 2,-0.4 -0.988 14.7-155.5-136.8 120.1 15.6 38.9 -23.1 91 21 B T E -OP 83 100D 11 -8,-2.8 -8,-2.0 -2,-0.4 2,-0.3 -0.820 9.7-176.0-103.9 139.4 12.9 40.9 -21.5 92 22 B V E -OP 82 99D 1 7,-2.7 7,-2.5 -2,-0.4 2,-0.5 -0.931 17.5-143.2-125.2 151.9 11.5 40.5 -18.0 93 23 B K E +OP 81 98D 41 -12,-1.7 -13,-2.6 -2,-0.3 -12,-0.7 -0.986 25.9 167.1-113.5 119.9 8.6 42.3 -16.4 94 24 B V E > -OP 79 97D 1 3,-2.0 3,-1.8 -2,-0.5 2,-0.2 -0.997 65.2 -29.1-129.5 129.7 9.2 43.0 -12.7 95 25 B G T 3 S- 0 0 40 -17,-0.6 -18,-0.1 -2,-0.4 -15,-0.1 -0.475 126.6 -28.8 66.4-130.7 6.8 45.4 -10.9 96 26 B D T 3 S+ 0 0 107 -2,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.137 119.6 94.2-102.1 20.2 5.5 47.9 -13.5 97 27 B K E < -P 94 0D 39 -3,-1.8 -3,-2.0 31,-0.1 2,-0.6 -0.937 56.4-157.1-122.3 131.1 8.6 47.7 -15.7 98 28 B E E +P 93 0D 51 -2,-0.4 32,-3.0 -5,-0.2 33,-0.6 -0.932 29.8 172.4 -96.7 119.0 9.6 45.7 -18.7 99 29 B L E -Pq 92 131D 1 -7,-2.5 -7,-2.7 -2,-0.6 2,-0.3 -0.820 16.6-148.3-122.4 162.0 13.4 45.7 -18.9 100 30 B F E -Pq 91 132D 69 31,-2.4 33,-1.9 -2,-0.3 2,-0.4 -0.955 6.6-164.5-133.5 152.9 15.8 43.7 -21.1 101 31 B T E -P 90 0D 2 -11,-2.5 -11,-1.9 -2,-0.3 33,-0.1 -0.984 16.9-158.9-133.5 147.9 19.2 42.2 -20.8 102 32 B N + 0 0 98 31,-0.4 2,-0.7 -2,-0.4 3,-0.1 0.299 62.2 109.8-101.7 9.4 21.7 41.0 -23.3 103 33 B R >> - 0 0 53 30,-0.3 3,-1.4 1,-0.2 4,-0.6 -0.770 54.4-159.5 -86.1 114.6 23.6 38.7 -20.9 104 34 B W H >> S+ 0 0 181 -2,-0.7 3,-1.6 1,-0.3 4,-0.7 0.867 87.6 59.7 -62.8 -41.6 22.9 35.1 -21.9 105 35 B N H 3> S+ 0 0 49 1,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.750 97.5 59.8 -56.9 -29.2 23.8 33.7 -18.5 106 36 B L H <> S+ 0 0 0 -3,-1.4 4,-2.2 1,-0.2 -1,-0.3 0.723 90.7 73.0 -74.1 -19.5 21.2 35.8 -16.8 107 37 B Q H S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 4,-0.7 0.914 111.8 51.7 -60.3 -39.3 13.6 32.8 -10.3 114 44 B Q H ><5S+ 0 0 17 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.948 110.2 44.7 -65.6 -51.0 10.4 33.1 -12.3 115 45 B I H 3<5S+ 0 0 37 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.824 118.0 43.8 -66.5 -27.5 9.2 29.5 -11.9 116 46 B T H 3<5S- 0 0 66 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.481 109.8-117.8 -99.4 -0.4 10.0 29.3 -8.1 117 47 B G T <<5 + 0 0 33 -3,-0.8 -3,-0.2 -4,-0.7 -4,-0.1 0.850 50.5 169.1 69.5 36.4 8.6 32.7 -7.3 118 48 B M < - 0 0 16 -5,-2.2 -39,-0.5 -6,-0.2 2,-0.5 -0.423 36.1-117.5 -74.7 160.9 11.7 34.4 -6.0 119 49 B T E -I 78 0C 52 20,-1.5 20,-2.8 -41,-0.1 2,-0.3 -0.840 34.7-169.9 -95.2 127.6 11.9 38.0 -5.3 120 50 B V E -IJ 77 138C 0 -43,-2.7 -43,-2.6 -2,-0.5 2,-0.5 -0.889 17.7-152.3-119.0 152.6 14.4 39.9 -7.5 121 51 B T E -IJ 76 137C 4 16,-2.3 16,-2.6 -2,-0.3 2,-0.5 -0.995 15.9-154.1-118.1 122.1 15.8 43.4 -7.4 122 52 B I E -IJ 75 136C 0 -47,-3.0 -48,-2.7 -2,-0.5 -47,-1.6 -0.864 6.2-153.2-102.0 135.9 16.9 44.7 -10.8 123 53 B K E +IJ 73 135C 42 12,-2.4 12,-0.7 -2,-0.5 11,-0.6 -0.927 34.5 126.0-114.0 124.3 19.6 47.4 -10.9 124 54 B T - 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