==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 19-MAY-08 3D6M . COMPND 2 MOLECULE: CASPASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.ROSEN-WOLFF,J.ROESLER,M.J.ROMANOWSKI . 264 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13507.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.7 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 16 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 1 3 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 3 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 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 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 1 125 A T > 0 0 155 0, 0.0 3,-0.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 141.4 87.4 12.7 31.8 2 126 A S T 3 + 0 0 78 1,-0.2 6,-0.1 6,-0.1 5,-0.1 0.396 360.0 83.4 -83.9 1.3 85.0 15.6 32.0 3 127 A S T 3 S+ 0 0 104 4,-0.1 -1,-0.2 3,-0.1 5,-0.1 0.608 77.0 89.9 -78.0 -14.3 86.3 17.1 28.7 4 128 A G S X S- 0 0 36 -3,-0.8 3,-1.4 3,-0.2 4,-0.0 -0.091 99.4 -93.0 -76.9 178.4 84.1 14.7 26.7 5 129 A S T 3 S+ 0 0 81 1,-0.3 68,-0.2 2,-0.1 -1,-0.1 0.779 124.8 56.5 -63.9 -27.6 80.5 15.3 25.4 6 130 A E T > S- 0 0 27 1,-0.2 3,-2.4 -5,-0.2 -1,-0.3 0.467 85.1-175.3 -86.0 -5.1 79.1 13.6 28.6 7 131 A G T < - 0 0 15 -3,-1.4 -3,-0.2 1,-0.3 -1,-0.2 -0.163 67.2 -5.8 53.1-125.9 81.0 16.1 30.9 8 132 A N T 3 S+ 0 0 101 -6,-0.1 2,-0.5 -5,-0.1 -1,-0.3 0.339 105.1 112.3 -84.9 6.0 80.5 15.2 34.6 9 133 A V S < S- 0 0 3 -3,-2.4 208,-0.2 -7,-0.1 207,-0.1 -0.711 73.1-121.0 -82.3 121.8 78.0 12.4 33.9 10 134 A K - 0 0 107 206,-2.4 210,-0.2 -2,-0.5 2,-0.1 -0.397 32.4-119.4 -63.3 134.5 79.5 9.0 34.8 11 135 A L - 0 0 95 -2,-0.1 2,-0.7 250,-0.1 250,-0.2 -0.435 9.1-127.8 -80.6 146.2 79.5 6.7 31.8 12 136 A C - 0 0 3 248,-2.8 209,-0.1 -2,-0.1 -1,-0.1 -0.859 30.6-143.7 -87.7 115.5 77.7 3.4 31.4 13 137 A S > - 0 0 41 -2,-0.7 4,-2.5 1,-0.1 5,-0.1 -0.286 23.6-109.1 -72.5 165.2 80.3 0.8 30.3 14 138 A L H > S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.827 122.7 54.7 -63.4 -32.0 79.5 -2.0 27.9 15 139 A E H > S+ 0 0 150 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.887 110.8 44.2 -66.6 -42.5 79.8 -4.4 30.8 16 140 A E H > S+ 0 0 50 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.901 112.6 53.0 -65.2 -43.9 77.2 -2.3 32.8 17 141 A A H X S+ 0 0 8 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.867 109.6 45.7 -64.3 -41.9 74.9 -2.0 29.8 18 142 A Q H < S+ 0 0 109 -4,-2.0 -1,-0.2 2,-0.2 4,-0.2 0.801 111.3 53.3 -73.2 -30.5 74.7 -5.8 29.1 19 143 A R H >X S+ 0 0 109 -4,-1.2 4,-2.5 2,-0.2 3,-0.8 0.866 107.2 52.3 -68.5 -38.5 74.2 -6.5 32.7 20 144 A I H 3X S+ 0 0 3 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.883 107.1 52.3 -62.6 -40.7 71.2 -4.0 32.7 21 145 A W H 3< S+ 0 0 107 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.527 112.5 47.4 -73.4 -7.2 69.8 -5.9 29.7 22 146 A K H <4 S+ 0 0 163 -3,-0.8 -2,-0.2 -4,-0.2 3,-0.2 0.808 107.2 52.0 -96.7 -44.2 70.1 -9.1 31.7 23 147 A Q H < S+ 0 0 147 -4,-2.5 2,-0.4 1,-0.3 -2,-0.2 0.846 125.2 28.2 -59.9 -37.4 68.5 -7.9 35.0 24 148 A K S < S- 0 0 74 -4,-1.6 -1,-0.3 -5,-0.2 4,-0.1 -0.978 74.7-172.4-130.5 118.3 65.5 -6.7 33.0 25 149 A S S S- 0 0 94 -2,-0.4 3,-0.3 -3,-0.2 -1,-0.2 0.963 74.9 -4.3 -74.0 -92.0 64.6 -8.4 29.8 26 150 A A S S+ 0 0 64 1,-0.2 -1,-0.1 228,-0.0 -5,-0.0 -0.153 112.2 88.8-100.6 36.3 61.9 -6.8 27.6 27 151 A E + 0 0 128 227,-0.1 228,-3.5 2,-0.1 2,-0.4 -0.042 63.3 94.1-126.1 32.5 61.1 -4.1 30.2 28 152 A I B S-a 255 0A 1 -3,-0.3 228,-0.2 226,-0.2 3,-0.0 -0.960 79.8-109.9-121.9 140.3 63.5 -1.3 29.1 29 153 A Y - 0 0 5 226,-2.5 228,-0.2 -2,-0.4 2,-0.1 -0.517 41.7-113.6 -65.0 131.3 62.7 1.6 26.7 30 154 A P - 0 0 84 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.442 25.2-143.5 -68.9 139.8 64.6 1.0 23.4 31 155 A I - 0 0 50 -2,-0.1 2,-0.1 -3,-0.0 3,-0.1 -0.868 16.1-124.7-102.8 139.5 67.4 3.6 22.6 32 156 A M - 0 0 68 -2,-0.4 72,-0.1 1,-0.1 5,-0.1 -0.401 42.3 -75.4 -79.1 158.7 68.0 4.6 19.1 33 157 A D >> - 0 0 104 1,-0.1 4,-1.9 -2,-0.1 3,-1.0 -0.282 37.5-136.7 -53.9 128.5 71.3 4.4 17.3 34 158 A K T 34 S+ 0 0 108 228,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.790 100.2 60.5 -58.5 -30.6 73.6 7.2 18.5 35 159 A S T 34 S+ 0 0 103 1,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.780 118.7 22.7 -71.1 -28.8 74.8 7.9 15.0 36 160 A S T <4 S+ 0 0 80 -3,-1.0 -2,-0.2 2,-0.0 -1,-0.2 0.556 92.5 112.2-117.7 -13.4 71.3 8.8 13.6 37 161 A R < - 0 0 34 -4,-1.9 2,-0.3 -5,-0.1 66,-0.2 -0.295 45.9-159.0 -72.6 151.7 69.2 9.9 16.6 38 162 A T - 0 0 44 64,-2.6 2,-0.3 61,-0.4 64,-0.2 -0.673 15.5-173.3-130.6 73.5 68.0 13.5 17.1 39 163 A R - 0 0 5 34,-0.4 36,-2.8 -2,-0.3 2,-0.3 -0.534 5.0-164.2 -73.7 133.3 67.1 13.9 20.8 40 164 A L E -bc 75 106B 4 65,-0.6 67,-0.8 -2,-0.3 2,-0.3 -0.911 10.3-178.5-117.6 146.8 65.4 17.1 21.8 41 165 A A E -bc 76 107B 0 34,-2.6 36,-2.7 -2,-0.3 2,-0.4 -0.977 11.6-150.3-137.7 155.2 64.9 18.8 25.2 42 166 A L E -bc 77 108B 2 65,-2.2 67,-2.9 -2,-0.3 2,-0.5 -0.984 6.6-170.6-128.1 133.8 63.2 22.0 26.3 43 167 A I E -bc 78 109B 0 34,-2.8 36,-3.1 -2,-0.4 2,-0.5 -0.992 2.3-174.4-121.9 121.1 64.0 24.3 29.2 44 168 A I E +bc 79 110B 3 65,-3.1 67,-2.3 -2,-0.5 2,-0.5 -0.981 10.9 177.0-111.9 119.0 61.6 27.1 30.0 45 169 A C E -bc 80 111B 1 34,-2.5 36,-1.9 -2,-0.5 2,-0.6 -0.987 17.2-162.3-127.0 124.2 62.9 29.4 32.8 46 170 A N + 0 0 2 65,-2.9 3,-0.1 -2,-0.5 67,-0.1 -0.934 28.6 148.0-103.4 115.8 61.1 32.5 34.1 47 171 A E + 0 0 7 -2,-0.6 8,-2.5 1,-0.2 2,-0.5 0.705 60.1 55.0-113.1 -40.1 63.6 34.7 36.1 48 172 A E + 0 0 74 6,-0.2 2,-0.3 7,-0.1 -1,-0.2 -0.895 68.3 179.7-106.7 121.9 62.4 38.2 35.5 49 173 A F - 0 0 25 -2,-0.5 74,-0.2 3,-0.5 73,-0.1 -0.824 34.3-131.4-121.1 156.8 58.7 39.0 36.3 50 174 A D S S+ 0 0 100 72,-2.5 73,-0.1 -2,-0.3 -1,-0.1 0.942 103.4 7.9 -65.5 -51.3 56.5 42.1 36.2 51 175 A S S S+ 0 0 84 73,-0.5 -1,-0.1 71,-0.5 74,-0.1 0.669 115.5 69.9-112.7 -22.8 55.0 41.8 39.7 52 176 A I S S- 0 0 43 70,-0.3 -3,-0.5 72,-0.2 3,-0.1 -0.729 90.8 -79.3-108.5 153.2 56.9 39.1 41.6 53 177 A P - 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.037 52.2 -99.5 -50.0 142.8 60.5 39.0 42.9 54 178 A R - 0 0 144 1,-0.1 2,-1.6 -6,-0.1 -6,-0.2 -0.363 31.0-122.4 -61.4 140.0 63.3 38.3 40.6 55 179 A R > - 0 0 0 -8,-2.5 3,-2.0 -3,-0.1 4,-0.2 -0.535 32.2-162.5 -89.6 72.1 64.5 34.6 40.7 56 180 A T T 3 S+ 0 0 59 -2,-1.6 148,-0.1 1,-0.3 146,-0.1 -0.303 74.6 31.0 -56.3 130.6 68.2 35.3 41.6 57 181 A G T >> S+ 0 0 8 145,-0.1 4,-1.2 146,-0.1 3,-0.9 0.276 80.6 117.8 100.3 -8.1 70.3 32.2 40.9 58 182 A A H <> + 0 0 0 -3,-2.0 4,-2.2 1,-0.3 -2,-0.1 0.777 69.6 61.6 -61.5 -29.8 68.1 31.0 38.0 59 183 A E H 3> S+ 0 0 78 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.828 99.9 54.7 -66.3 -32.3 71.0 31.3 35.6 60 184 A V H <> S+ 0 0 69 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.909 109.2 48.0 -64.3 -43.4 72.9 28.7 37.7 61 185 A D H X S+ 0 0 4 -4,-1.2 4,-2.6 2,-0.2 5,-0.3 0.889 111.9 49.1 -61.3 -45.3 69.9 26.3 37.2 62 186 A I H X S+ 0 0 10 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.942 113.2 46.7 -62.4 -50.0 69.8 27.0 33.4 63 187 A T H X S+ 0 0 85 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.950 115.4 46.0 -55.6 -52.8 73.5 26.4 33.0 64 188 A G H X S+ 0 0 22 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.903 117.0 41.8 -59.1 -47.2 73.4 23.2 35.1 65 189 A M H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.871 113.6 52.4 -71.5 -37.7 70.3 21.7 33.4 66 190 A T H X S+ 0 0 22 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.954 113.4 43.3 -61.4 -50.6 71.4 22.7 29.9 67 191 A M H X S+ 0 0 96 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.889 113.7 52.1 -65.3 -39.8 74.8 21.1 30.2 68 192 A L H X S+ 0 0 4 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.946 110.2 47.0 -59.8 -49.6 73.3 18.0 31.9 69 193 A L H <>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 -2,-0.2 0.885 112.5 50.1 -64.2 -37.5 70.8 17.4 29.2 70 194 A Q H ><5S+ 0 0 94 -4,-2.2 3,-1.7 3,-0.2 -1,-0.2 0.914 107.5 54.7 -62.1 -42.7 73.5 17.9 26.5 71 195 A N H 3<5S+ 0 0 20 -4,-2.4 190,-0.3 1,-0.3 -2,-0.2 0.844 106.0 52.8 -56.9 -35.0 75.7 15.4 28.4 72 196 A L T 3<5S- 0 0 6 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.424 130.0 -95.7 -84.8 0.3 72.8 12.9 28.2 73 197 A G T < 5S+ 0 0 34 -3,-1.7 -34,-0.4 1,-0.3 2,-0.3 0.521 79.0 134.9 102.9 9.7 72.6 13.4 24.4 74 198 A Y < - 0 0 5 -5,-2.7 2,-0.6 -6,-0.1 -1,-0.3 -0.720 52.9-135.9 -98.3 138.0 69.8 16.0 24.1 75 199 A S E -b 40 0B 73 -36,-2.8 -34,-2.6 -2,-0.3 2,-0.5 -0.839 35.3-146.4 -86.0 119.2 69.8 19.1 21.9 76 200 A V E -b 41 0B 29 -2,-0.6 2,-0.5 -36,-0.2 -34,-0.2 -0.801 18.0-162.9-106.4 123.0 68.4 21.8 24.3 77 201 A D E -b 42 0B 51 -36,-2.7 -34,-2.8 -2,-0.5 2,-0.5 -0.869 13.9-158.5 -94.8 129.9 66.2 24.7 23.5 78 202 A V E -b 43 0B 48 -2,-0.5 2,-0.4 -36,-0.2 -34,-0.2 -0.949 10.5-177.6-113.8 123.1 66.2 27.4 26.2 79 203 A K E -b 44 0B 61 -36,-3.1 -34,-2.5 -2,-0.5 2,-0.4 -0.968 9.2-161.1-120.8 137.0 63.3 29.8 26.4 80 204 A K E +b 45 0B 99 -2,-0.4 -34,-0.2 -36,-0.2 -36,-0.0 -0.920 53.7 2.5-125.0 143.7 63.2 32.6 29.0 81 205 A N S S+ 0 0 38 -36,-1.9 2,-0.3 -2,-0.4 -1,-0.2 0.937 75.7 166.3 56.6 66.7 60.6 34.9 30.6 82 206 A L - 0 0 18 -3,-0.2 40,-1.7 40,-0.0 -1,-0.2 -0.837 36.0-125.1-116.0 144.7 57.4 33.7 29.0 83 207 A T > - 0 0 15 -2,-0.3 4,-2.7 38,-0.3 5,-0.2 -0.423 39.9-103.4 -71.9 162.2 53.7 34.3 29.8 84 208 A A H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.879 127.6 53.3 -54.3 -39.8 51.6 31.2 30.3 85 209 A S H > S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.902 109.4 46.8 -58.9 -45.8 50.3 31.9 26.8 86 210 A D H > S+ 0 0 65 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.866 110.0 53.8 -65.3 -40.2 53.9 32.0 25.4 87 211 A M H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.921 108.4 49.6 -58.8 -46.0 54.7 28.8 27.2 88 212 A T H X S+ 0 0 42 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.928 112.0 48.0 -58.9 -47.2 51.7 27.1 25.6 89 213 A T H X S+ 0 0 84 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.906 113.0 48.0 -59.3 -43.7 52.8 28.4 22.2 90 214 A E H X S+ 0 0 49 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.874 111.0 50.5 -66.8 -39.7 56.4 27.2 22.8 91 215 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.906 110.4 49.6 -65.8 -41.1 55.2 23.8 24.0 92 216 A E H X S+ 0 0 100 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.905 111.7 48.6 -63.5 -42.7 53.0 23.4 20.9 93 217 A A H < S+ 0 0 49 -4,-2.2 3,-0.4 2,-0.2 4,-0.3 0.905 111.2 50.9 -61.4 -41.7 56.0 24.3 18.6 94 218 A F H >< S+ 0 0 6 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.910 107.0 53.2 -63.3 -43.0 58.2 21.8 20.6 95 219 A A H 3< S+ 0 0 7 -4,-2.5 53,-0.3 1,-0.3 -1,-0.2 0.752 107.5 53.4 -61.8 -26.7 55.6 19.1 20.0 96 220 A H T 3< S+ 0 0 140 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.397 77.0 124.9 -90.6 0.6 55.7 19.8 16.3 97 221 A R X - 0 0 76 -3,-1.4 3,-1.3 -4,-0.3 4,-0.3 -0.443 58.0-143.4 -67.2 128.5 59.5 19.5 15.9 98 222 A P G > S+ 0 0 101 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.732 92.4 75.5 -65.7 -22.0 60.3 16.9 13.2 99 223 A E G > S+ 0 0 56 1,-0.2 3,-1.0 2,-0.2 -61,-0.4 0.771 79.9 71.3 -60.9 -27.2 63.4 15.7 15.2 100 224 A H G X S+ 0 0 0 -3,-1.3 3,-1.7 1,-0.2 -1,-0.2 0.821 87.6 64.1 -59.6 -32.6 61.1 13.8 17.6 101 225 A K G < S+ 0 0 74 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.817 109.3 38.8 -60.4 -33.2 60.3 11.2 14.9 102 226 A T G < S+ 0 0 72 -3,-1.0 -64,-2.6 -4,-0.5 2,-0.3 -0.108 105.8 90.0-108.4 33.1 64.0 10.2 15.0 103 227 A S < - 0 0 0 -3,-1.7 -64,-0.1 45,-0.2 3,-0.1 -0.851 61.6-152.8-121.8 162.4 64.3 10.5 18.7 104 228 A D S S- 0 0 8 -2,-0.3 2,-0.3 1,-0.2 -4,-0.1 0.369 74.7 -7.3-112.3 0.9 63.7 7.9 21.5 105 229 A S - 0 0 0 47,-0.2 -65,-0.6 -5,-0.1 2,-0.3 -0.980 57.9-140.1-179.3 167.8 62.7 10.2 24.3 106 230 A T E -cd 40 154B 0 47,-2.2 49,-2.5 -2,-0.3 2,-0.4 -0.991 2.7-150.8-148.9 158.0 62.4 13.8 25.6 107 231 A F E -cd 41 155B 6 -67,-0.8 -65,-2.2 -2,-0.3 2,-0.4 -0.992 9.8-170.9-124.0 134.8 63.0 16.0 28.6 108 232 A L E -cd 42 156B 0 47,-2.9 49,-2.9 -2,-0.4 2,-0.4 -0.999 6.7-168.5-123.8 130.6 61.0 19.2 29.4 109 233 A V E -cd 43 157B 1 -67,-2.9 -65,-3.1 -2,-0.4 2,-0.4 -0.979 4.1-172.3-126.4 126.6 62.1 21.4 32.3 110 234 A F E +cd 44 158B 1 47,-3.0 49,-2.9 -2,-0.4 2,-0.4 -0.961 4.3 179.2-120.1 131.7 60.1 24.2 33.8 111 235 A M E +cd 45 159B 1 -67,-2.3 -65,-2.9 -2,-0.4 2,-0.3 -0.970 28.9 101.5-138.7 118.5 61.5 26.6 36.3 112 236 A S S S- 0 0 1 47,-2.4 49,-0.3 -2,-0.4 2,-0.2 -0.950 72.1 -60.2-167.7 178.3 59.5 29.5 37.8 113 237 A H - 0 0 18 -2,-0.3 7,-2.8 7,-0.2 2,-0.3 -0.529 61.0-169.9 -66.4 150.1 57.5 30.9 40.7 114 238 A G E -G 119 0C 10 152,-1.7 49,-0.4 5,-0.2 2,-0.2 -0.980 21.6-162.7-146.2 161.6 54.5 28.7 41.4 115 239 A I E > -G 118 0C 51 3,-2.6 3,-0.5 -2,-0.3 48,-0.1 -0.740 50.0 -84.8-128.3 179.5 51.3 28.4 43.3 116 240 A R T 3 S+ 0 0 129 -2,-0.2 47,-0.1 1,-0.2 3,-0.1 0.898 127.5 53.2 -54.2 -41.4 49.0 25.4 44.2 117 241 A E T 3 S- 0 0 125 1,-0.1 17,-0.3 16,-0.1 2,-0.3 0.807 120.6 -85.4 -65.2 -35.5 47.3 25.8 40.8 118 242 A G E < -G 115 0C 15 -3,-0.5 -3,-2.6 15,-0.2 2,-0.3 -0.981 66.0 -13.4 164.0-149.7 50.5 25.7 38.7 119 243 A I E -GH 114 132C 7 13,-2.8 13,-2.9 -2,-0.3 2,-0.3 -0.713 58.1-122.1 -98.5 134.0 53.5 27.5 37.2 120 244 A C E - H 0 131C 2 -7,-2.8 -7,-0.2 -2,-0.3 11,-0.2 -0.574 15.7-145.5 -81.8 131.7 53.7 31.3 37.0 121 245 A G > - 0 0 0 9,-3.6 3,-1.9 -2,-0.3 -38,-0.3 -0.416 38.0 -95.9 -79.0 167.3 54.1 33.2 33.7 122 246 A K T 3 S+ 0 0 62 -40,-1.7 -72,-2.5 1,-0.3 -71,-0.5 0.771 123.8 49.3 -58.9 -28.6 56.1 36.4 33.7 123 247 A K T 3 S+ 0 0 110 -74,-0.2 -1,-0.3 -73,-0.1 5,-0.1 0.404 81.7 137.9 -91.6 0.0 53.0 38.6 34.0 124 248 A H < + 0 0 16 -3,-1.9 -73,-0.5 6,-0.3 2,-0.3 -0.154 18.3 157.3 -57.5 136.2 51.5 36.7 37.0 125 249 A S - 0 0 15 3,-1.2 5,-0.1 -74,-0.1 -2,-0.0 -0.953 52.9-111.6-145.1 164.2 49.9 38.7 39.8 126 250 A E S S+ 0 0 185 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.840 120.1 48.4 -62.7 -34.3 47.4 37.8 42.5 127 251 A Q S S+ 0 0 165 1,-0.3 -1,-0.2 -3,-0.0 -3,-0.1 0.880 127.4 22.8 -72.9 -42.4 44.9 40.2 40.8 128 252 A V S S- 0 0 104 -5,-0.1 -3,-1.2 2,-0.0 -1,-0.3 -0.844 87.0-149.2-129.0 92.4 45.5 38.9 37.3 129 253 A P - 0 0 87 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.318 13.5-170.2 -65.9 143.8 46.8 35.3 37.4 130 254 A D + 0 0 25 -9,-0.2 -9,-3.6 -5,-0.1 2,-0.4 -0.781 28.8 161.4-132.9 84.2 49.1 34.1 34.6 131 255 A I E -H 120 0C 43 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -0.909 34.2-158.0-121.5 132.8 49.3 30.3 35.3 132 256 A L E -H 119 0C 5 -13,-2.9 -13,-2.8 -2,-0.4 2,-0.2 -0.952 24.7-142.3-102.7 121.4 50.3 27.2 33.2 133 257 A Q >> - 0 0 117 -2,-0.6 4,-1.2 -15,-0.2 3,-1.0 -0.594 15.2-128.9 -83.4 143.2 48.8 24.1 34.7 134 258 A L H 3> S+ 0 0 36 -17,-0.3 4,-2.0 -2,-0.2 3,-0.2 0.862 110.3 63.9 -53.6 -37.5 50.7 20.8 34.7 135 259 A N H 3> S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.844 99.2 51.8 -56.4 -36.8 47.6 19.3 33.1 136 260 A A H <> S+ 0 0 29 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.861 105.6 55.5 -69.4 -35.9 48.1 21.5 30.0 137 261 A I H X S+ 0 0 0 -4,-1.2 4,-1.2 -3,-0.2 -2,-0.2 0.958 109.7 45.2 -61.1 -52.5 51.8 20.3 29.7 138 262 A F H >X S+ 0 0 0 -4,-2.0 4,-0.7 1,-0.2 3,-0.6 0.919 111.5 53.3 -55.7 -47.5 50.7 16.6 29.6 139 263 A N H >< S+ 0 0 64 -4,-2.1 3,-0.7 1,-0.2 6,-0.4 0.882 107.2 50.8 -57.8 -39.9 47.9 17.3 27.1 140 264 A M H 3< S+ 0 0 22 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.766 116.4 41.1 -71.1 -23.7 50.3 19.1 24.7 141 265 A L H << S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.358 92.8 108.8-105.1 1.4 52.8 16.2 24.7 142 266 A N S < + 0 0 1 -4,-2.7 3,-1.8 -7,-0.1 -1,-0.2 -0.522 62.4 163.2-140.0 69.4 52.4 14.8 19.9 147 271 A P G > S+ 0 0 84 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.767 70.9 71.2 -59.9 -25.9 52.1 11.5 17.9 148 272 A S G 3 S+ 0 0 38 -53,-0.3 -45,-0.2 1,-0.3 -5,-0.1 0.682 97.7 50.4 -65.3 -18.6 55.9 11.6 17.1 149 273 A L G X S+ 0 0 1 -3,-1.8 3,-1.9 -7,-0.2 -1,-0.3 0.220 77.5 139.9-106.2 14.3 56.6 10.8 20.8 150 274 A K T < S+ 0 0 84 -3,-1.8 34,-0.1 1,-0.3 31,-0.1 -0.346 78.3 6.1 -53.8 132.2 54.2 7.8 20.9 151 275 A D T 3 S+ 0 0 74 1,-0.2 -1,-0.3 32,-0.1 33,-0.1 0.496 107.0 114.8 69.0 10.5 55.8 5.0 23.0 152 276 A K S < S- 0 0 32 -3,-1.9 -47,-0.2 31,-0.2 -1,-0.2 -0.902 74.6-103.8-116.6 135.5 58.7 7.2 24.0 153 277 A P - 0 0 1 0, 0.0 -47,-2.2 0, 0.0 2,-0.5 -0.309 30.5-164.5 -60.8 133.3 59.5 8.4 27.6 154 278 A K E -de 106 185B 1 30,-2.6 32,-2.0 -49,-0.2 2,-0.6 -0.956 5.7-164.0-121.4 106.9 58.6 12.0 28.2 155 279 A V E -de 107 186B 0 -49,-2.5 -47,-2.9 -2,-0.5 2,-0.5 -0.841 2.2-166.7-101.2 120.9 60.2 13.3 31.4 156 280 A I E -de 108 187B 0 30,-3.0 32,-2.6 -2,-0.6 2,-0.5 -0.929 1.9-169.7-111.9 121.5 58.8 16.5 32.9 157 281 A I E -de 109 188B 2 -49,-2.9 -47,-3.0 -2,-0.5 2,-0.5 -0.950 3.7-170.1-112.5 126.3 60.9 18.3 35.6 158 282 A I E -de 110 189B 11 30,-2.5 32,-1.9 -2,-0.5 2,-0.7 -0.935 12.7-173.6-126.6 113.4 59.3 21.2 37.5 159 283 A Q E +d 111 0B 0 -49,-2.9 -47,-2.4 -2,-0.5 2,-0.3 -0.910 45.3 108.2 -97.5 108.4 61.1 23.6 39.8 160 284 A A S S- 0 0 4 -2,-0.7 31,-0.2 -49,-0.2 30,-0.2 -0.904 70.5 -95.7-171.8 149.4 58.4 25.8 41.4 161 285 A C - 0 0 7 105,-2.0 35,-0.2 -49,-0.3 3,-0.1 -0.348 23.2-159.0 -61.5 153.5 56.6 26.3 44.7 162 286 A R - 0 0 41 33,-2.3 32,-1.9 1,-0.3 2,-0.3 0.056 68.9 -29.9-121.9 24.2 53.2 24.5 45.0 163 287 A G S S- 0 0 10 -49,-0.4 -1,-0.3 31,-0.2 34,-0.1 -0.909 73.1 -80.6 147.1-177.2 51.8 26.7 47.7 164 288 A D S S+ 0 0 163 -2,-0.3 31,-0.2 -3,-0.1 32,-0.1 0.532 82.6 111.6 -96.8 -11.1 52.9 28.9 50.7 165 289 A S B -i 195 0D 50 29,-2.1 31,-2.6 1,-0.1 -3,-0.2 -0.388 67.6-133.7 -78.6 143.0 53.4 26.2 53.4 166 290 A P - 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