==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 06-AUG-99 1CQF . COMPND 2 MOLECULE: SHIGA TOXIN B-CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.LING,D.BAST,J.L.BRUNTON,R.J.READ . 345 5 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14235.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 87.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 41.7 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 . 53 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 13.9 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 0 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 0 0 5 6 14 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 0 0 0 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 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 1 101 A T 0 0 87 0, 0.0 2,-0.0 0, 0.0 54,-0.0 0.000 360.0 360.0 360.0 132.5 -14.9 24.4 -1.5 2 102 A P - 0 0 82 0, 0.0 52,-1.4 0, 0.0 2,-0.1 -0.341 360.0-104.9 -69.1 147.0 -16.7 27.7 -1.9 3 103 A D E +A 53 0A 96 50,-0.2 50,-0.2 1,-0.2 3,-0.1 -0.412 36.4 179.1 -65.5 146.7 -15.6 30.8 0.1 4 104 A a E - 0 0 24 48,-2.2 2,-0.3 1,-0.4 49,-0.2 0.696 59.3 -10.4-115.2 -59.4 -18.0 31.6 3.0 5 105 A V E -A 52 0A 16 47,-1.2 47,-2.6 20,-0.1 -1,-0.4 -0.993 50.9-163.0-146.0 150.5 -16.5 34.6 4.8 6 106 A T E +A 51 0A 71 -2,-0.3 2,-0.3 45,-0.2 45,-0.2 -0.999 43.0 82.7-133.9 135.1 -13.4 36.6 4.8 7 107 A G E S-A 50 0A 18 43,-2.0 43,-2.9 -2,-0.4 2,-0.1 -0.961 74.7 -49.0 162.9-173.0 -12.3 39.0 7.5 8 108 A K E -A 49 0A 126 -2,-0.3 2,-0.7 41,-0.2 17,-0.7 -0.456 61.2 -98.0 -84.0 160.4 -10.6 39.3 10.9 9 109 A V E -G 24 0B 12 39,-0.5 15,-0.2 34,-0.2 3,-0.1 -0.737 32.5-172.0 -82.4 114.7 -11.6 37.1 13.8 10 110 A E E - 0 0 109 13,-2.8 2,-0.3 -2,-0.7 -1,-0.2 0.922 67.6 -28.0 -71.1 -45.5 -14.0 39.0 16.1 11 111 A Y E -G 23 0B 57 12,-0.8 12,-2.2 338,-0.2 2,-0.3 -0.980 53.8-141.1-164.2 161.4 -14.0 36.4 18.8 12 112 A T E -GH 22 348B 0 336,-1.6 336,-3.3 -2,-0.3 2,-0.4 -0.931 13.2-157.7-127.7 155.7 -13.5 32.7 19.4 13 113 A K E -GH 21 347B 32 8,-2.6 8,-3.0 -2,-0.3 2,-0.6 -0.995 12.0-143.4-140.2 127.5 -15.3 30.4 21.8 14 114 A Y E -GH 20 346B 0 332,-2.9 332,-1.2 -2,-0.4 6,-0.2 -0.832 29.9-146.2 -88.6 124.9 -14.2 27.0 23.3 15 115 A N > - 0 0 18 4,-2.5 3,-2.0 -2,-0.6 330,-0.0 -0.555 21.4-112.6 -95.3 158.7 -17.3 24.8 23.5 16 116 A D T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -2,-0.2 329,-0.1 0.725 117.6 53.4 -58.4 -26.5 -18.3 22.2 26.1 17 117 A D T 3 S- 0 0 107 2,-0.1 -1,-0.3 327,-0.0 3,-0.1 0.144 121.7-105.5 -96.1 16.5 -17.9 19.4 23.5 18 118 A D S < S+ 0 0 37 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.599 80.2 129.3 70.3 13.4 -14.4 20.5 22.7 19 119 A T - 0 0 14 18,-0.0 -4,-2.5 11,-0.0 2,-0.4 -0.518 54.2-128.0 -88.2 169.2 -15.3 22.0 19.4 20 120 A F E -GI 14 31B 0 11,-2.6 11,-2.4 -6,-0.2 2,-0.4 -0.978 14.8-155.5-129.3 125.7 -14.2 25.6 18.6 21 121 A T E -GI 13 30B 12 -8,-3.0 -8,-2.6 -2,-0.4 2,-0.3 -0.801 9.9-171.8-101.0 141.6 -16.4 28.4 17.5 22 122 A V E -GI 12 29B 1 7,-3.2 7,-2.4 -2,-0.4 2,-0.6 -0.969 14.8-148.9-132.3 144.2 -15.2 31.5 15.5 23 123 A K E +GI 11 28B 51 -12,-2.2 -13,-2.8 -2,-0.3 -12,-0.8 -0.971 26.6 163.2-115.1 112.1 -17.0 34.7 14.5 24 124 A V E > -GI 9 27B 2 3,-1.8 3,-1.9 -2,-0.6 2,-0.2 -0.998 63.7 -29.7-128.4 134.0 -15.8 36.2 11.2 25 125 A G T 3 S- 0 0 30 -17,-0.7 -18,-0.1 -2,-0.4 -20,-0.1 -0.412 124.0 -32.3 60.4-123.0 -17.7 38.8 9.3 26 126 A D T 3 S+ 0 0 136 -2,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.346 118.5 89.9-110.0 2.5 -21.4 38.2 10.1 27 127 A K E < -I 24 0B 59 -3,-1.9 -3,-1.8 31,-0.1 2,-0.6 -0.802 57.9-153.9-106.5 144.3 -21.3 34.4 10.5 28 128 A E E +I 23 0B 68 -2,-0.3 32,-3.3 -5,-0.2 33,-0.5 -0.974 30.2 168.5-113.1 114.0 -20.6 32.3 13.6 29 129 A L E -Ij 22 61B 2 -7,-2.4 -7,-3.2 -2,-0.6 2,-0.3 -0.829 17.6-150.7-124.7 162.9 -19.2 28.9 12.5 30 130 A F E -Ij 21 62B 58 31,-2.5 33,-1.6 -2,-0.3 2,-0.3 -0.938 3.0-157.7-137.0 159.1 -17.5 26.0 14.3 31 131 A T E -I 20 0B 1 -11,-2.4 -11,-2.6 -2,-0.3 33,-0.1 -0.988 16.3-157.5-136.7 146.3 -15.0 23.3 13.8 32 132 A N + 0 0 102 -2,-0.3 2,-0.8 31,-0.3 32,-0.1 0.335 64.2 110.9-100.2 3.5 -14.3 19.9 15.4 33 133 A R > - 0 0 60 30,-0.3 3,-1.2 1,-0.2 4,-0.4 -0.720 54.5-160.3 -82.5 110.4 -10.6 19.9 14.2 34 134 A W T >> S+ 0 0 139 -2,-0.8 3,-1.0 1,-0.3 4,-0.5 0.787 85.8 66.2 -61.8 -30.0 -8.5 20.3 17.4 35 135 A N H 3> S+ 0 0 41 1,-0.2 4,-0.8 2,-0.1 -1,-0.3 0.782 94.8 60.3 -62.0 -27.8 -5.4 21.5 15.4 36 136 A L H <> S+ 0 0 0 -3,-1.2 4,-3.2 1,-0.2 5,-0.3 0.696 85.3 78.3 -76.0 -19.4 -7.3 24.6 14.4 37 137 A Q H <> S+ 0 0 7 -3,-1.0 4,-1.9 -4,-0.4 -1,-0.2 0.944 100.7 34.5 -57.9 -56.6 -7.9 25.9 17.9 38 138 A S H X S+ 0 0 57 -4,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.862 118.3 55.3 -68.8 -32.2 -4.4 27.4 18.6 39 139 A L H X S+ 0 0 4 -4,-0.8 4,-2.0 1,-0.2 -2,-0.2 0.935 110.1 44.4 -65.0 -46.0 -4.1 28.4 14.9 40 140 A L H X S+ 0 0 0 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.843 112.1 52.1 -68.7 -34.0 -7.3 30.4 15.0 41 141 A L H X S+ 0 0 4 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.2 0.912 108.5 51.1 -69.3 -40.2 -6.5 32.0 18.4 42 142 A S H X S+ 0 0 46 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.926 109.8 50.4 -59.7 -43.9 -3.1 33.1 17.0 43 143 A A H X>S+ 0 0 0 -4,-2.0 5,-1.9 1,-0.2 4,-0.8 0.866 110.5 50.4 -62.4 -36.4 -4.8 34.6 14.0 44 144 A Q H <5S+ 0 0 18 -4,-1.7 3,-0.5 3,-0.2 -2,-0.2 0.950 113.5 44.3 -67.0 -47.0 -7.2 36.4 16.4 45 145 A I H <5S+ 0 0 62 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.888 117.3 43.3 -65.5 -41.9 -4.4 37.9 18.5 46 146 A T H <5S- 0 0 67 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.534 109.4-121.1 -84.9 -4.3 -2.1 38.9 15.6 47 147 A G T <5 + 0 0 34 -4,-0.8 -3,-0.2 -3,-0.5 -4,-0.1 0.818 49.0 169.5 71.4 32.8 -5.1 40.4 13.6 48 148 A M < - 0 0 18 -5,-1.9 -39,-0.5 -6,-0.2 2,-0.5 -0.373 36.4-118.1 -74.1 156.4 -4.7 38.2 10.6 49 149 A T E -A 8 0A 51 20,-1.5 20,-2.4 -41,-0.1 2,-0.4 -0.836 34.7-165.8 -93.8 127.1 -7.3 38.1 7.8 50 150 A V E -AB 7 68A 0 -43,-2.9 -43,-2.0 -2,-0.5 2,-0.5 -0.896 15.8-153.0-116.9 147.7 -8.8 34.6 7.4 51 151 A T E -AB 6 67A 0 16,-1.9 16,-2.4 -2,-0.4 2,-0.5 -0.985 13.3-156.8-115.9 120.2 -11.0 33.1 4.7 52 152 A I E -AB 5 66A 0 -47,-2.6 -48,-2.2 -2,-0.5 -47,-1.2 -0.889 5.1-157.9-100.0 125.6 -13.2 30.3 5.9 53 153 A K E +AB 3 65A 37 12,-2.3 11,-0.7 -2,-0.5 12,-0.6 -0.907 30.4 133.1-107.4 125.1 -14.3 27.8 3.2 54 154 A T - 0 0 15 -52,-1.4 3,-0.2 -2,-0.5 9,-0.1 -0.940 54.2-139.0-168.8 149.0 -17.5 25.7 3.7 55 155 A N S S+ 0 0 145 -2,-0.3 2,-1.0 1,-0.2 8,-0.1 0.652 101.4 69.7 -81.4 -21.1 -20.7 24.6 2.1 56 156 A A + 0 0 19 6,-0.5 2,-1.6 -3,-0.1 -1,-0.2 -0.503 67.1 165.4 -96.1 61.9 -22.5 25.2 5.4 57 157 A a + 0 0 45 -2,-1.0 2,-0.3 -3,-0.2 -28,-0.1 -0.598 37.8 86.2 -86.6 83.6 -22.2 28.9 5.2 58 158 A H S > S- 0 0 104 -2,-1.6 3,-2.4 -30,-0.1 -31,-0.1 -0.944 91.6 -63.3-168.5 158.3 -24.7 30.1 7.8 59 159 A N T 3 S+ 0 0 101 -2,-0.3 -30,-0.2 1,-0.3 3,-0.1 -0.282 124.7 21.0 -54.1 129.6 -24.7 30.6 11.6 60 160 A G T 3 S+ 0 0 45 -32,-3.3 -1,-0.3 1,-0.3 -31,-0.2 0.442 94.8 137.8 88.7 -0.1 -24.0 27.4 13.4 61 161 A G E < -j 29 0B 3 -3,-2.4 -31,-2.5 -33,-0.5 -1,-0.3 -0.280 49.1-122.2 -74.9 163.6 -22.4 25.8 10.3 62 162 A T E +j 30 0B 74 -33,-0.2 -6,-0.5 -3,-0.1 2,-0.3 -0.710 27.3 178.6-105.8 160.0 -19.2 23.7 10.4 63 163 A F + 0 0 6 -33,-1.6 -31,-0.3 -2,-0.3 -30,-0.3 -0.966 22.5 176.9-152.2 161.4 -15.9 24.2 8.6 64 164 A S + 0 0 22 -11,-0.7 2,-0.4 -2,-0.3 24,-0.3 0.169 65.5 80.5-152.6 14.9 -12.5 22.6 8.4 65 165 A E E +B 53 0A 10 -12,-0.6 -12,-2.3 21,-0.1 2,-0.4 -0.984 50.6 164.6-134.9 121.8 -10.8 24.7 5.8 66 166 A V E -BC 52 84A 0 18,-1.3 18,-2.7 -2,-0.4 2,-0.5 -0.995 24.9-149.8-140.8 141.6 -9.2 28.0 6.5 67 167 A I E -BC 51 83A 18 -16,-2.4 -16,-1.9 -2,-0.4 2,-0.6 -0.960 13.2-155.0-111.6 124.5 -6.8 30.3 4.7 68 168 A F E BC 50 82A 0 14,-3.2 14,-1.9 -2,-0.5 -18,-0.2 -0.900 360.0 360.0-100.7 119.7 -4.5 32.5 6.9 69 169 A R 0 0 153 -20,-2.4 -20,-1.5 -2,-0.6 12,-0.2 -0.942 360.0 360.0-111.8 360.0 -3.2 35.7 5.2 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 71 201 B T 0 0 79 0, 0.0 3,-0.1 0, 0.0 54,-0.0 0.000 360.0 360.0 360.0 131.9 16.6 16.7 -1.0 72 202 B P - 0 0 69 0, 0.0 52,-1.7 0, 0.0 2,-0.1 -0.296 360.0-102.4 -65.2 144.2 16.9 19.6 -3.5 73 203 B D E +M 123 0C 93 50,-0.2 50,-0.2 1,-0.1 3,-0.1 -0.399 38.0 178.8 -60.1 140.3 15.9 23.1 -2.7 74 204 B b E - 0 0 22 48,-2.7 2,-0.3 1,-0.4 49,-0.2 0.780 58.9 -8.8-110.8 -59.1 12.5 24.0 -4.2 75 205 B V E -M 122 0C 12 47,-1.1 47,-2.3 20,-0.1 -1,-0.4 -0.985 53.5-161.6-142.3 152.6 11.5 27.6 -3.1 76 206 B T E +M 121 0C 65 -2,-0.3 2,-0.3 45,-0.2 45,-0.2 -0.999 42.9 75.8-136.9 135.2 12.9 30.2 -0.8 77 207 B G E S-M 120 0C 20 43,-2.1 43,-2.8 -2,-0.4 2,-0.2 -0.954 76.8 -43.8 158.3-172.2 11.1 33.2 0.6 78 208 B K E -M 119 0C 124 -2,-0.3 17,-0.7 41,-0.2 2,-0.7 -0.507 62.5 -98.3 -83.6 156.3 8.6 34.4 3.1 79 209 B V E - D 0 94A 13 39,-0.5 15,-0.2 34,-0.2 3,-0.1 -0.681 31.6-169.7 -78.1 115.1 5.3 32.6 3.6 80 210 B E E - 0 0 116 13,-2.6 2,-0.3 -2,-0.7 -1,-0.2 0.899 67.7 -28.1 -72.3 -42.4 2.6 34.5 1.6 81 211 B Y E - D 0 93A 48 12,-0.7 12,-2.0 -12,-0.2 2,-0.3 -0.967 55.3-140.9-165.4 161.4 -0.3 32.5 3.2 82 212 B T E -CD 68 92A 0 -14,-1.9 -14,-3.2 -2,-0.3 2,-0.4 -0.901 12.5-158.3-126.1 160.8 -1.1 29.2 4.8 83 213 B K E -CD 67 91A 29 8,-2.4 8,-3.1 -2,-0.3 2,-0.5 -0.990 13.1-141.5-145.9 126.4 -4.2 27.0 4.5 84 214 B Y E -CD 66 90A 1 -18,-2.7 -18,-1.3 -2,-0.4 6,-0.2 -0.806 32.1-141.4 -86.1 128.7 -5.6 24.3 6.8 85 215 B N > - 0 0 15 4,-2.6 3,-2.1 -2,-0.5 -20,-0.0 -0.590 18.4-112.2 -97.4 159.6 -7.0 21.5 4.6 86 216 B D T 3 S+ 0 0 73 1,-0.3 -21,-0.1 -2,-0.2 -1,-0.1 0.646 117.4 48.8 -58.3 -24.8 -10.1 19.3 4.9 87 217 B D T 3 S- 0 0 106 2,-0.1 -1,-0.3 -23,-0.0 3,-0.1 0.141 123.2-100.8-104.1 17.8 -8.0 16.2 5.5 88 218 B D S < S+ 0 0 38 -3,-2.1 2,-0.2 -24,-0.3 -2,-0.1 0.595 83.0 127.9 74.1 10.6 -5.8 17.8 8.2 89 219 B T - 0 0 16 18,-0.0 -4,-2.6 11,-0.0 2,-0.4 -0.454 54.3-128.3 -85.7 173.2 -2.9 18.4 5.8 90 220 B F E -DE 84 101A 0 11,-2.4 11,-2.7 -6,-0.2 2,-0.4 -0.990 13.7-153.9-133.3 131.6 -1.4 21.9 5.7 91 221 B T E -DE 83 100A 11 -8,-3.1 -8,-2.4 -2,-0.4 2,-0.3 -0.827 10.3-173.6-106.6 140.8 -0.8 24.1 2.6 92 222 B V E -DE 82 99A 0 7,-3.2 7,-2.6 -2,-0.4 2,-0.5 -0.971 15.0-149.4-132.6 145.7 1.8 26.8 2.3 93 223 B K E +DE 81 98A 40 -12,-2.0 -13,-2.6 -2,-0.3 -12,-0.7 -0.976 25.3 165.7-116.4 112.6 2.5 29.3 -0.5 94 224 B V E > -DE 79 97A 0 3,-2.0 3,-2.1 -2,-0.5 2,-0.3 -0.998 63.2 -31.6-128.4 131.3 6.2 30.3 -0.8 95 225 B G T 3 S- 0 0 44 -17,-0.7 -20,-0.1 -2,-0.4 -18,-0.1 -0.436 124.6 -30.6 62.8-118.7 7.5 32.2 -3.8 96 226 B D T 3 S+ 0 0 100 -2,-0.3 2,-0.4 -3,-0.0 -1,-0.3 0.319 118.6 90.1-113.1 3.5 5.5 30.9 -6.8 97 227 B K E < -E 94 0A 41 -3,-2.1 -3,-2.0 31,-0.1 2,-0.6 -0.860 57.6-153.9-109.6 140.6 4.7 27.4 -5.5 98 228 B E E +E 93 0A 67 -2,-0.4 32,-3.0 -5,-0.2 33,-0.6 -0.949 29.5 171.1-107.3 114.6 1.8 26.2 -3.5 99 229 B L E -Ef 92 131A 1 -7,-2.6 -7,-3.2 -2,-0.6 2,-0.3 -0.850 17.6-150.7-124.6 159.2 2.9 23.0 -1.6 100 230 B F E -Ef 91 132A 67 31,-2.4 33,-1.4 -2,-0.3 2,-0.3 -0.930 3.0-159.0-130.9 156.2 1.3 20.9 1.2 101 231 B T E -E 90 0A 1 -11,-2.7 -11,-2.4 -2,-0.3 33,-0.1 -0.975 16.9-156.9-134.0 148.7 2.5 18.7 4.0 102 232 B N + 0 0 95 31,-0.4 2,-0.8 -2,-0.3 3,-0.1 0.293 64.4 110.3-102.5 7.3 1.0 15.9 6.0 103 233 B R > - 0 0 49 30,-0.3 3,-1.4 1,-0.2 4,-0.4 -0.756 53.6-162.1 -85.8 110.8 3.3 16.4 9.0 104 234 B W T > S+ 0 0 142 -2,-0.8 3,-1.6 1,-0.3 4,-0.5 0.851 85.8 67.4 -62.1 -33.0 1.2 17.8 11.8 105 235 B N T 3> S+ 0 0 42 1,-0.3 4,-0.7 2,-0.1 -1,-0.3 0.739 94.8 58.9 -57.0 -26.6 4.3 19.1 13.7 106 236 B L H <> S+ 0 0 0 -3,-1.4 4,-2.9 1,-0.2 -1,-0.3 0.650 84.9 81.0 -80.1 -16.0 4.9 21.6 10.9 107 237 B Q H <> S+ 0 0 8 -3,-1.6 4,-1.9 -4,-0.4 -1,-0.2 0.949 100.1 32.3 -58.9 -55.7 1.5 23.4 11.2 108 238 B S H > S+ 0 0 53 -4,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.857 117.9 56.9 -72.5 -32.4 2.3 25.7 14.2 109 239 B L H X S+ 0 0 4 -4,-0.7 4,-1.8 1,-0.2 -2,-0.2 0.932 109.9 44.6 -62.4 -45.9 6.0 26.0 13.1 110 240 B L H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.878 112.3 50.8 -67.4 -38.1 4.9 27.3 9.7 111 241 B L H X S+ 0 0 4 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.911 109.7 51.0 -66.6 -41.4 2.3 29.7 11.1 112 242 B S H X S+ 0 0 47 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.893 109.6 51.1 -60.1 -39.8 4.8 31.1 13.5 113 243 B A H X>S+ 0 0 0 -4,-1.8 5,-1.9 2,-0.2 4,-0.8 0.881 111.1 48.3 -64.4 -39.3 7.2 31.6 10.6 114 244 B Q H <5S+ 0 0 18 -4,-2.1 3,-0.3 3,-0.2 -2,-0.2 0.913 113.3 46.8 -67.0 -44.1 4.4 33.4 8.6 115 245 B I H <5S+ 0 0 65 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.904 117.0 41.6 -65.9 -43.8 3.5 35.7 11.6 116 246 B T H <5S- 0 0 71 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.533 109.6-120.8 -84.7 -5.5 7.2 36.6 12.4 117 247 B G T <5 + 0 0 33 -4,-0.8 -3,-0.2 -3,-0.3 -4,-0.1 0.812 48.6 169.5 72.9 31.9 8.1 37.0 8.7 118 248 B M < - 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