==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 25-MAY-06 2H51 . COMPND 2 MOLECULE: CASPASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.SCHEER,J.A.WELLS,M.J.ROMANOWSKI . 257 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13185.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.8 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 1 0.4 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 22.2 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 1 1 0 0 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 1 128 A G 0 0 75 0, 0.0 2,-0.2 0, 0.0 55,-0.1 0.000 360.0 360.0 360.0-155.3 45.9 40.2 38.0 2 129 A S - 0 0 39 53,-0.5 60,-0.2 1,-0.1 61,-0.1 -0.573 360.0-138.9 -86.7 143.8 45.2 43.9 37.3 3 130 A E - 0 0 158 -2,-0.2 -1,-0.1 59,-0.1 0, 0.0 0.807 29.9-146.3 -66.3 -32.5 42.6 45.3 34.9 4 131 A G + 0 0 0 1,-0.2 2,-0.4 61,-0.0 62,-0.1 0.676 32.0 167.5 73.3 19.7 45.1 47.9 33.7 5 132 A N - 0 0 119 1,-0.0 2,-0.5 62,-0.0 -1,-0.2 -0.542 22.4-150.8 -68.6 121.2 42.5 50.6 33.0 6 133 A V - 0 0 7 -2,-0.4 205,-0.2 60,-0.1 204,-0.1 -0.826 17.7-114.0-103.7 128.6 44.3 53.9 32.5 7 134 A K - 0 0 114 203,-2.9 207,-0.2 -2,-0.5 2,-0.1 -0.416 45.6-118.6 -53.7 128.2 43.0 57.3 33.4 8 135 A L - 0 0 127 -2,-0.1 2,-0.7 1,-0.1 247,-0.2 -0.422 9.9-122.1 -78.1 145.3 42.6 59.0 30.0 9 136 A C - 0 0 4 245,-2.9 -1,-0.1 -2,-0.1 206,-0.1 -0.806 36.6-135.2 -82.9 115.8 44.4 62.2 28.9 10 137 A S > - 0 0 63 -2,-0.7 4,-2.5 1,-0.1 5,-0.2 -0.214 18.9-108.2 -69.8 162.1 41.6 64.6 28.0 11 138 A L H > S+ 0 0 124 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.836 122.5 44.4 -57.7 -35.7 41.7 66.8 24.8 12 139 A E H > S+ 0 0 153 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.730 110.2 53.6 -83.9 -26.0 42.3 69.9 27.0 13 140 A E H > S+ 0 0 51 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.867 108.1 50.9 -71.8 -38.9 45.0 68.1 29.2 14 141 A A H X S+ 0 0 9 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.783 110.1 51.7 -65.7 -28.7 46.8 67.2 26.0 15 142 A Q H < S+ 0 0 139 -4,-0.7 -2,-0.2 -5,-0.2 -1,-0.2 0.887 106.3 52.0 -72.6 -43.0 46.5 70.9 25.0 16 143 A R H < S+ 0 0 186 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.820 113.2 45.8 -62.4 -34.2 48.0 72.0 28.4 17 144 A I H < 0 0 24 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.916 360.0 360.0 -74.2 -47.0 51.0 69.7 27.8 18 145 A W < 0 0 131 -4,-2.0 -3,-0.2 -5,-0.1 -2,-0.2 0.980 360.0 360.0 -72.6 360.0 51.5 70.7 24.1 19 ! 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 20 149 A S 0 0 103 0, 0.0 3,-0.3 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 -71.5 56.2 72.2 23.4 21 150 A A + 0 0 79 1,-0.2 -3,-0.0 -3,-0.0 0, 0.0 0.195 360.0 69.1-101.9 12.6 59.4 71.4 21.4 22 151 A E S S+ 0 0 132 2,-0.1 227,-3.2 226,-0.1 2,-0.4 -0.087 78.2 94.9-123.8 30.3 60.5 69.0 24.2 23 152 A I B S-a 249 0A 9 -3,-0.3 227,-0.2 225,-0.3 -5,-0.0 -0.965 78.5-110.3-125.3 140.5 58.0 66.2 23.9 24 153 A Y - 0 0 2 225,-2.8 227,-0.3 -2,-0.4 2,-0.1 -0.518 41.6-116.3 -66.1 128.8 58.3 62.9 21.9 25 154 A P - 0 0 84 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.457 24.1-143.1 -69.3 139.0 55.9 63.0 18.9 26 155 A I - 0 0 50 -2,-0.1 3,-0.1 6,-0.0 2,-0.1 -0.867 15.0-126.4-104.0 137.7 53.1 60.5 18.9 27 156 A M - 0 0 67 -2,-0.4 72,-0.1 1,-0.1 5,-0.1 -0.372 41.9 -72.8 -79.3 160.4 52.0 58.8 15.7 28 157 A D >> - 0 0 102 1,-0.1 4,-2.3 -2,-0.1 3,-1.1 -0.285 41.2-132.3 -54.3 127.3 48.4 58.7 14.3 29 158 A K T 34 S+ 0 0 132 227,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.819 101.1 47.5 -50.0 -43.6 46.2 56.3 16.3 30 159 A S T 34 S+ 0 0 110 1,-0.2 -1,-0.2 3,-0.0 -2,-0.1 0.624 120.9 33.8 -82.8 -14.0 44.7 54.4 13.4 31 160 A S T <4 S+ 0 0 78 -3,-1.1 -2,-0.2 66,-0.0 -1,-0.2 0.635 92.5 101.0-113.5 -21.8 48.0 53.8 11.4 32 161 A R < - 0 0 31 -4,-2.3 2,-0.3 1,-0.1 66,-0.2 -0.312 53.2-155.6 -71.5 150.6 50.6 53.3 14.1 33 162 A T - 0 0 45 64,-2.4 64,-0.2 61,-0.4 2,-0.1 -0.636 15.3-171.6-128.2 71.8 51.9 49.8 15.1 34 163 A R - 0 0 6 34,-0.4 36,-2.6 -2,-0.3 2,-0.4 -0.431 6.6-161.0 -66.6 136.3 53.2 50.1 18.7 35 164 A L E +bc 70 101B 2 65,-0.6 67,-0.9 34,-0.2 2,-0.3 -0.941 12.9 179.9-122.4 141.4 55.0 47.0 19.9 36 165 A A E -bc 71 102B 0 34,-2.5 36,-2.5 -2,-0.4 2,-0.4 -0.989 10.7-155.2-134.7 148.3 55.8 45.8 23.4 37 166 A L E -bc 72 103B 1 65,-2.1 67,-3.0 -2,-0.3 2,-0.5 -0.984 3.8-167.2-124.5 132.1 57.7 42.6 24.6 38 167 A I E -bc 73 104B 0 34,-2.9 36,-3.0 -2,-0.4 2,-0.6 -0.980 2.1-173.2-115.5 120.1 57.4 40.9 27.9 39 168 A I E +bc 74 105B 5 65,-3.1 67,-2.1 -2,-0.5 2,-0.4 -0.973 13.5 174.9-107.0 120.1 60.0 38.2 28.8 40 169 A C E -bc 75 106B 0 34,-2.5 36,-1.5 -2,-0.6 2,-0.5 -0.969 17.7-161.3-131.4 117.6 59.0 36.4 32.0 41 170 A N + 0 0 0 65,-2.6 3,-0.1 -2,-0.4 74,-0.1 -0.866 25.5 152.4 -96.0 124.9 60.8 33.5 33.5 42 171 A E + 0 0 27 -2,-0.5 8,-2.4 1,-0.2 2,-0.5 0.670 60.4 54.8-116.2 -37.7 58.8 31.5 36.1 43 172 A E - 0 0 96 6,-0.2 2,-0.3 7,-0.1 -1,-0.2 -0.909 66.4-178.4-111.5 125.9 60.1 28.0 36.0 44 173 A F - 0 0 23 3,-0.6 74,-0.2 -2,-0.5 73,-0.1 -0.847 34.4-132.3-124.7 155.3 63.9 27.4 36.5 45 174 A D S S+ 0 0 97 72,-2.9 73,-0.1 -2,-0.3 -1,-0.1 0.875 107.8 7.9 -68.1 -40.7 66.2 24.3 36.5 46 175 A S S S+ 0 0 78 71,-0.4 -1,-0.1 73,-0.4 72,-0.1 0.239 116.2 76.5-132.9 9.6 67.9 25.3 39.7 47 176 A I S S- 0 0 26 70,-0.2 -3,-0.6 73,-0.1 3,-0.1 -0.971 86.9 -96.5-125.0 141.4 66.0 28.2 41.2 48 177 A P - 0 0 106 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 -0.157 52.1 -87.1 -54.2 147.4 62.6 28.1 43.0 49 178 A R - 0 0 146 1,-0.1 2,-1.7 -5,-0.1 -6,-0.2 -0.276 34.3-125.2 -55.2 136.2 59.4 28.8 40.9 50 179 A R > - 0 0 1 -8,-2.4 3,-1.7 -3,-0.1 -1,-0.1 -0.563 34.0-163.8 -86.6 71.7 58.5 32.4 40.7 51 180 A T T 3 S+ 0 0 61 -2,-1.7 147,-0.1 1,-0.3 145,-0.1 -0.324 72.1 34.8 -58.0 135.8 55.0 32.0 42.0 52 181 A G T >> S+ 0 0 10 144,-0.1 4,-1.3 145,-0.1 3,-0.8 0.315 78.7 117.7 97.6 -5.3 52.8 35.0 41.3 53 182 A A H <> + 0 0 0 -3,-1.7 4,-2.5 1,-0.2 5,-0.1 0.804 69.1 62.5 -63.5 -30.7 54.5 35.8 38.0 54 183 A E H 3> S+ 0 0 85 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.828 100.0 54.0 -62.3 -33.9 51.2 35.2 36.2 55 184 A V H <> S+ 0 0 42 -3,-0.8 4,-2.4 2,-0.2 -53,-0.5 0.912 109.9 47.0 -63.8 -44.7 49.8 38.2 38.2 56 185 A D H X S+ 0 0 4 -4,-1.3 4,-2.4 2,-0.2 5,-0.3 0.899 112.8 49.0 -62.6 -43.1 52.7 40.3 36.9 57 186 A I H X S+ 0 0 11 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.943 112.5 47.8 -63.4 -49.1 52.2 39.1 33.3 58 187 A T H X S+ 0 0 54 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.928 115.0 44.8 -54.5 -53.1 48.4 39.8 33.4 59 188 A G H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.914 116.1 44.0 -63.4 -48.0 48.8 43.3 34.9 60 189 A M H X S+ 0 0 1 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.872 114.5 50.8 -66.4 -38.4 51.7 44.4 32.6 61 190 A T H X S+ 0 0 19 -4,-2.5 4,-2.3 -5,-0.3 5,-0.2 0.940 112.8 44.8 -63.6 -50.4 50.0 42.9 29.5 62 191 A M H X S+ 0 0 65 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.919 115.4 48.6 -61.2 -44.7 46.6 44.6 30.2 63 192 A L H X S+ 0 0 1 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.938 112.8 46.0 -59.0 -51.3 48.3 48.0 31.0 64 193 A L H <>S+ 0 0 1 -4,-2.5 5,-2.7 1,-0.2 -2,-0.2 0.885 113.4 49.8 -65.3 -39.0 50.5 48.0 27.9 65 194 A Q H ><5S+ 0 0 93 -4,-2.3 3,-1.7 3,-0.2 -1,-0.2 0.916 109.9 51.1 -59.5 -46.8 47.6 47.0 25.6 66 195 A N H 3<5S+ 0 0 87 -4,-2.4 189,-0.3 1,-0.3 -2,-0.2 0.747 105.6 55.9 -67.0 -23.5 45.5 49.8 27.2 67 196 A L T 3<5S- 0 0 6 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.397 130.8 -96.5 -84.6 0.9 48.4 52.2 26.5 68 197 A G T < 5S+ 0 0 35 -3,-1.7 -34,-0.4 1,-0.3 2,-0.4 0.584 78.9 134.8 99.5 14.2 48.1 51.2 22.8 69 198 A Y < - 0 0 5 -5,-2.7 2,-0.7 -6,-0.1 -1,-0.3 -0.772 54.6-132.4 -98.4 136.5 50.8 48.5 22.5 70 199 A S E -b 35 0B 70 -36,-2.6 -34,-2.5 -2,-0.4 2,-0.5 -0.795 36.5-146.0 -79.2 119.9 50.6 45.1 20.8 71 200 A V E -b 36 0B 29 -2,-0.7 2,-0.4 -36,-0.2 -34,-0.2 -0.798 18.1-167.7-105.4 123.3 52.0 42.8 23.5 72 201 A D E -b 37 0B 50 -36,-2.5 -34,-2.9 -2,-0.5 2,-0.5 -0.901 10.5-157.7-104.3 135.9 54.1 39.7 22.8 73 202 A V E -b 38 0B 46 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.966 10.6-178.1-119.9 124.3 54.8 37.4 25.8 74 203 A K E -b 39 0B 59 -36,-3.0 -34,-2.5 -2,-0.5 2,-0.3 -0.984 11.9-162.8-122.1 134.8 57.7 35.0 25.9 75 204 A K E +b 40 0B 100 -2,-0.4 -34,-0.2 -36,-0.2 -36,-0.0 -0.883 53.2 5.5-125.0 147.5 58.2 32.6 28.9 76 205 A N S S+ 0 0 51 -36,-1.5 2,-0.3 -2,-0.3 -1,-0.2 0.924 76.9 163.7 53.2 62.9 60.9 30.5 30.5 77 206 A L - 0 0 23 -3,-0.2 40,-1.4 4,-0.0 -1,-0.2 -0.830 36.7-127.6-111.9 145.2 63.9 31.4 28.3 78 207 A T > - 0 0 13 -2,-0.3 4,-2.8 38,-0.3 5,-0.2 -0.356 41.2-100.3 -72.2 167.7 67.6 30.9 28.6 79 208 A A H > S+ 0 0 11 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.829 127.5 54.7 -59.2 -31.7 69.8 34.0 28.2 80 209 A S H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.928 108.9 44.3 -67.0 -49.6 70.5 32.7 24.7 81 210 A D H > S+ 0 0 67 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.892 112.6 53.7 -61.7 -40.7 66.8 32.4 23.8 82 211 A M H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.911 108.9 49.5 -57.7 -45.1 66.3 35.9 25.4 83 212 A T H X S+ 0 0 42 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.928 112.5 46.3 -59.1 -50.1 69.1 37.2 23.1 84 213 A T H X S+ 0 0 82 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.905 113.1 50.2 -59.4 -44.9 67.5 35.7 20.0 85 214 A E H X S+ 0 0 52 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.865 110.7 49.0 -63.1 -39.3 64.1 37.0 20.9 86 215 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.843 110.3 51.0 -70.4 -36.3 65.4 40.5 21.5 87 216 A E H X S+ 0 0 109 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.908 112.6 46.2 -65.0 -44.5 67.2 40.5 18.1 88 217 A A H >< S+ 0 0 52 -4,-2.3 3,-0.6 2,-0.2 4,-0.5 0.934 113.3 49.8 -62.3 -46.9 64.0 39.4 16.4 89 218 A F H >< S+ 0 0 7 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.921 107.6 53.8 -57.4 -47.1 62.0 42.0 18.3 90 219 A A H 3< S+ 0 0 3 -4,-2.6 53,-0.3 1,-0.3 -1,-0.2 0.752 109.6 49.0 -59.6 -26.8 64.5 44.8 17.4 91 220 A H T << S+ 0 0 136 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.410 77.2 126.9 -96.3 -1.3 64.1 43.9 13.7 92 221 A R X - 0 0 70 -3,-1.4 3,-1.5 -4,-0.5 4,-0.3 -0.417 58.5-142.1 -58.0 124.0 60.3 43.9 13.7 93 222 A P G > S+ 0 0 94 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.662 91.6 79.2 -67.7 -15.6 59.2 46.2 10.8 94 223 A E G > S+ 0 0 56 1,-0.3 3,-0.9 2,-0.2 -61,-0.4 0.750 78.9 69.9 -61.8 -27.1 56.3 47.5 13.0 95 224 A H G X S+ 0 0 0 -3,-1.5 3,-1.7 1,-0.2 -1,-0.3 0.818 88.1 64.8 -59.6 -33.0 58.8 49.8 14.8 96 225 A K G < S+ 0 0 153 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.814 110.5 36.4 -59.1 -35.3 59.1 51.8 11.6 97 226 A T G < S+ 0 0 72 -3,-0.9 -64,-2.4 -4,-0.5 -1,-0.3 -0.029 107.9 88.6-108.9 27.3 55.5 52.8 12.0 98 227 A S < - 0 0 0 -3,-1.7 3,-0.1 -66,-0.2 -64,-0.1 -0.775 61.5-153.8-114.7 167.4 55.7 53.0 15.8 99 228 A D S S- 0 0 8 1,-0.3 2,-0.3 -2,-0.3 -4,-0.1 0.350 74.2 -4.4-119.2 1.0 56.7 56.0 18.0 100 229 A S - 0 0 0 47,-0.2 -65,-0.6 -5,-0.1 2,-0.3 -0.965 59.3-143.1-179.0 167.1 58.0 54.1 21.1 101 230 A T E -cd 35 149B 0 47,-1.9 49,-2.6 -2,-0.3 2,-0.4 -0.988 3.8-148.4-149.7 157.9 58.5 50.7 22.7 102 231 A F E -cd 36 150B 1 -67,-0.9 -65,-2.1 -2,-0.3 2,-0.5 -0.994 8.7-169.6-124.0 136.1 58.4 48.9 26.1 103 232 A L E -cd 37 151B 0 47,-3.1 49,-3.2 -2,-0.4 2,-0.5 -0.995 8.9-168.3-123.5 120.9 60.6 46.0 27.0 104 233 A V E -cd 38 152B 2 -67,-3.0 -65,-3.1 -2,-0.5 2,-0.4 -0.955 4.6-173.2-118.0 124.3 59.7 44.2 30.2 105 234 A F E +cd 39 153B 3 47,-3.2 49,-3.2 -2,-0.5 2,-0.4 -0.962 5.0 176.5-114.9 132.4 61.9 41.6 31.9 106 235 A M E +cd 40 154B 1 -67,-2.1 -65,-2.6 -2,-0.4 2,-0.3 -0.943 30.3 101.8-138.7 114.5 60.8 39.6 34.9 107 236 A S S S- 0 0 2 47,-2.4 49,-0.3 -2,-0.4 2,-0.2 -0.934 73.3 -62.1-163.8 179.8 63.0 36.9 36.4 108 237 A H - 0 0 35 7,-0.3 7,-2.6 -2,-0.3 2,-0.3 -0.502 60.3-167.9 -68.6 155.2 65.4 36.0 39.1 109 238 A G E -G 114 0C 0 151,-1.0 49,-0.4 5,-0.2 2,-0.2 -0.987 20.7-169.9-150.0 157.9 68.5 38.2 39.0 110 239 A I E > -G 113 0C 31 3,-2.7 3,-0.9 -2,-0.3 48,-0.2 -0.789 50.5 -83.3-135.3 179.5 72.0 38.7 40.3 111 240 A R T 3 S+ 0 0 148 1,-0.3 47,-0.1 -2,-0.2 3,-0.1 0.878 126.5 54.7 -54.5 -41.0 74.6 41.5 40.2 112 241 A E T 3 S- 0 0 128 1,-0.2 17,-0.4 16,-0.1 2,-0.3 0.759 120.9 -90.2 -66.7 -29.0 75.8 40.4 36.7 113 242 A G E < -G 110 0C 6 -3,-0.9 -3,-2.7 15,-0.2 2,-0.4 -0.997 67.3 -9.8 156.8-149.2 72.3 40.6 35.2 114 243 A I E -GH 109 127C 3 13,-2.8 13,-3.3 -2,-0.3 2,-0.4 -0.723 61.4-121.4 -94.1 133.3 69.0 38.7 34.5 115 244 A C E - H 0 126C 0 -7,-2.6 -7,-0.3 -2,-0.4 11,-0.2 -0.566 17.1-148.2 -78.4 127.6 68.8 34.9 35.1 116 245 A G > - 0 0 0 9,-3.5 3,-1.8 -2,-0.4 -38,-0.3 -0.407 39.0 -94.5 -77.4 168.7 67.9 32.6 32.2 117 246 A K T 3 S+ 0 0 62 -40,-1.4 -72,-2.9 1,-0.3 -71,-0.4 0.713 123.5 51.6 -61.7 -22.2 65.9 29.4 33.0 118 247 A K T 3 S+ 0 0 105 -74,-0.2 -1,-0.3 -73,-0.1 5,-0.1 0.367 79.8 140.7 -95.5 4.7 69.1 27.3 33.3 119 248 A H < + 0 0 15 -3,-1.8 -73,-0.4 6,-0.3 2,-0.3 -0.199 16.5 157.5 -62.0 135.0 71.0 29.6 35.7 120 249 A S - 0 0 30 3,-1.1 -73,-0.1 1,-0.1 5,-0.1 -0.965 52.5-116.1-144.8 155.6 73.2 28.0 38.5 121 250 A E S S+ 0 0 192 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.870 120.6 48.1 -55.7 -38.2 76.1 29.3 40.5 122 251 A Q S S+ 0 0 93 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.1 0.902 126.9 22.4 -70.9 -46.1 78.1 26.6 38.9 123 252 A V S S- 0 0 104 -5,-0.1 -3,-1.1 2,-0.0 -1,-0.3 -0.841 86.0-146.3-127.0 92.7 77.0 27.3 35.3 124 253 A P - 0 0 90 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.229 15.7-173.5 -57.8 142.2 75.7 30.9 34.9 125 254 A D + 0 0 22 -9,-0.1 -9,-3.5 -5,-0.1 2,-0.4 -0.783 30.0 159.3-135.8 87.1 72.9 31.6 32.4 126 255 A I E -H 115 0C 36 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -0.940 39.1-151.4-126.3 131.1 72.8 35.4 32.5 127 256 A L E -H 114 0C 4 -13,-3.3 -13,-2.8 -2,-0.4 2,-0.2 -0.918 27.8-139.9 -95.7 118.7 71.5 38.1 30.3 128 257 A Q > - 0 0 116 -2,-0.6 4,-1.0 -15,-0.2 3,-0.5 -0.539 10.5-132.0 -78.1 142.8 73.6 41.2 30.8 129 258 A L H > S+ 0 0 36 -17,-0.4 4,-1.7 1,-0.2 3,-0.4 0.863 107.3 63.2 -62.9 -35.5 71.8 44.6 30.9 130 259 A N H > S+ 0 0 88 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.875 98.7 54.6 -50.9 -43.8 74.5 45.9 28.5 131 260 A A H > S+ 0 0 31 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.833 102.9 56.2 -63.7 -35.5 73.3 43.4 25.8 132 261 A I H X S+ 0 0 0 -4,-1.0 4,-1.2 -3,-0.4 -1,-0.2 0.965 112.4 41.3 -60.2 -52.2 69.7 44.7 26.1 133 262 A F H >X S+ 0 0 3 -4,-1.7 4,-0.6 1,-0.2 3,-0.6 0.931 114.2 52.7 -60.3 -48.6 70.8 48.2 25.3 134 263 A N H >< S+ 0 0 84 -4,-2.8 3,-1.0 1,-0.2 6,-0.5 0.908 109.6 48.8 -52.8 -47.9 73.3 47.0 22.6 135 264 A M H 3< S+ 0 0 18 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.715 117.3 41.3 -68.8 -23.8 70.5 45.0 20.8 136 265 A L H << S+ 0 0 1 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.333 93.3 114.9-105.1 6.1 68.1 48.0 20.9 137 266 A N S < + 0 0 0 -4,-2.7 3,-1.6 -7,-0.1 -1,-0.3 -0.536 64.4 161.4-139.7 67.3 67.6 48.7 15.9 142 271 A P G > S+ 0 0 80 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.789 70.6 69.6 -61.0 -26.6 67.6 51.7 13.5 143 272 A S G 3 S+ 0 0 32 -53,-0.3 -45,-0.2 1,-0.3 -5,-0.1 0.677 97.7 51.0 -66.2 -19.8 63.8 51.7 13.4 144 273 A L G X S+ 0 0 0 -3,-1.6 3,-1.6 -7,-0.2 -1,-0.3 0.149 77.9 134.8-105.6 17.7 63.7 53.0 17.0 145 274 A K T < S+ 0 0 87 -3,-1.6 33,-0.1 1,-0.3 30,-0.0 -0.462 79.5 8.2 -60.8 134.2 66.1 55.8 16.4 146 275 A D T 3 S+ 0 0 72 1,-0.2 -1,-0.3 -2,-0.1 32,-0.1 0.585 109.0 111.4 67.3 13.2 64.8 59.0 18.0 147 276 A K S < S- 0 0 33 -3,-1.6 -47,-0.2 30,-0.2 -1,-0.2 -0.955 76.9-102.3-121.8 137.9 62.0 57.0 19.7 148 277 A P - 0 0 1 0, 0.0 -47,-1.9 0, 0.0 2,-0.6 -0.334 30.8-163.8 -63.9 129.2 61.7 56.4 23.5 149 278 A K E -de 101 179B 2 29,-2.6 31,-2.0 -49,-0.2 2,-0.6 -0.945 6.0-161.8-117.3 106.6 62.7 52.8 24.5 150 279 A V E -de 102 180B 0 -49,-2.6 -47,-3.1 -2,-0.6 2,-0.6 -0.816 3.5-167.1 -99.9 119.2 61.4 51.9 28.0 151 280 A I E -de 103 181B 0 29,-3.0 31,-3.1 -2,-0.6 2,-0.5 -0.923 3.0-171.8-108.3 119.0 63.1 49.0 29.7 152 281 A I E -de 104 182B 1 -49,-3.2 -47,-3.2 -2,-0.6 2,-0.5 -0.950 3.9-171.6-112.3 124.9 61.4 47.6 32.8 153 282 A I E -de 105 183B 4 29,-2.5 31,-2.1 -2,-0.5 2,-0.7 -0.947 13.9-173.3-126.3 114.2 63.2 45.0 34.9 154 283 A Q E +d 106 0B 0 -49,-3.2 -47,-2.4 -2,-0.5 2,-0.3 -0.922 47.9 102.2 -98.7 109.0 61.7 43.1 37.8 155 284 A A S S- 0 0 4 -2,-0.7 30,-0.3 -49,-0.2 29,-0.2 -0.916 73.0 -94.2-174.9 153.1 64.6 41.1 39.3 156 285 A C - 0 0 2 104,-3.2 34,-0.2 -2,-0.3 3,-0.1 -0.441 20.2-153.9 -65.7 154.5 67.1 41.2 42.3 157 286 A K S S- 0 0 39 32,-2.5 31,-1.8 1,-0.5 2,-0.2 0.039 77.7 -30.3-111.3 20.6 70.4 42.9 41.5 158 287 A G S S- 0 0 9 -49,-0.4 -1,-0.5 31,-0.3 33,-0.1 -0.791 75.2 -84.6 143.8 172.7 72.0 40.7 44.2 159 288 A D S S+ 0 0 118 -2,-0.2 30,-0.2 -3,-0.1 100,-0.1 0.267 79.6 117.9 -99.5 11.2 70.9 39.0 47.5 160 289 A S B -i 189 0D 48 28,-2.4 30,-2.8 1,-0.1 -3,-0.2 -0.566 68.2-131.0 -76.6 138.6 71.4 41.9 50.0 161 290 A P - 0 0 78 0, 0.0 -1,-0.1 0, 0.0 28,-0.1 0.673 40.3-128.4 -57.6 -19.3 68.3 43.2 51.8 162 291 A G + 0 0 37 1,-0.3 2,-0.3 26,-0.1 27,-0.1 0.758 66.8 109.8 78.0 28.2 69.5 46.7 50.7 163 292 A V - 0 0 65 73,-0.0 2,-0.3 74,-0.0 -1,-0.3 -0.893 52.2-151.5-132.8 157.8 69.4 48.3 54.2 164 293 A V - 0 0 127 -2,-0.3 2,-0.3 -3,-0.1 0, 0.0 -0.961 24.7-128.6-124.2 148.2 71.7 49.6 56.9 165 294 A W - 0 0 231 -2,-0.3 2,-0.3 0, 0.0 -2,-0.0 -0.725 23.8-177.2 -98.5 146.2 70.7 49.6 60.6 166 295 A F - 0 0 170 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.990 24.7-153.7-139.3 149.9 70.9 52.6 63.0 167 296 A K 0 0 220 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.938 360.0 360.0 -78.9 -56.4 70.2 53.1 66.7 168 297 A D 0 0 182 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.889 360.0 360.0-111.7 360.0 69.2 56.8 66.6 169 !* 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 0.0 170 318 B I 0 0 230 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.2 77.0 58.9 5.0 171 319 B K - 0 0 205 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.937 360.0-121.4-123.5 147.9 75.5 60.5 8.2 172 320 B K - 0 0 207 -2,-0.3 2,-0.3 3,-0.0 0, 0.0 -0.607 25.3-177.5 -85.6 141.5 76.3 60.1 11.9 173 321 B A - 0 0 53 -2,-0.3 2,-0.1 -28,-0.0 -34,-0.0 -0.994 37.3 -98.5-135.7 144.8 73.7 59.0 14.5 174 322 B H - 0 0 133 -2,-0.3 -36,-0.2 1,-0.1 3,-0.2 -0.387 26.8-144.9 -56.2 131.6 74.1 58.6 18.3 175 323 B I S S+ 0 0 95 1,-0.2 -37,-2.4 -37,-0.1 2,-0.5 0.884 88.5 30.8 -66.6 -39.9 74.6 54.9 19.1 176 324 B E S S+ 0 0 56 -39,-0.2 2,-0.3 -38,-0.1 -1,-0.2 -0.962 80.7 128.4-129.7 113.2 72.7 55.1 22.3 177 325 B K + 0 0 36 -2,-0.5 -30,-0.2 -3,-0.2 69,-0.2 -0.979 53.5 32.1-160.8 152.2 69.9 57.6 22.8 178 326 B D S S+ 0 0 2 67,-2.6 -29,-2.6 -2,-0.3 2,-0.3 0.836 80.9 133.9 62.9 38.4 66.2 57.8 23.9 179 327 B F E +e 149 0B 1 -31,-0.2 66,-2.5 64,-0.1 67,-0.6 -0.841 29.8 178.3-107.1 151.4 66.5 55.0 26.4 180 328 B I E -e 150 0B 0 -31,-2.0 -29,-3.0 -2,-0.3 2,-0.4 -0.908 9.0-163.3-146.0 130.8 65.2 54.8 30.0 181 329 B A E -eF 151 242B 3 61,-2.1 61,-2.3 -2,-0.3 2,-0.5 -0.917 2.1-168.6-108.6 139.0 65.6 51.8 32.3 182 330 B F E -eF 152 241B 0 -31,-3.1 -29,-2.5 -2,-0.4 2,-0.3 -0.950 10.3-170.4-127.6 110.6 63.6 51.3 35.4 183 331 B C E -eF 153 240B 4 57,-2.9 57,-2.0 -2,-0.5 -29,-0.2 -0.749 28.8-126.9-102.7 151.3 64.7 48.5 37.8 184 332 B S S S+ 0 0 0 -31,-2.1 2,-0.3 -2,-0.3 8,-0.2 0.688 87.8 10.7 -67.9 -24.9 62.9 47.1 40.8 185 333 B S S S- 0 0 0 -30,-0.3 55,-0.3 52,-0.1 6,-0.1 -0.957 81.7 -92.6-149.8 168.3 65.9 47.5 43.2 186 334 B T > - 0 0 41 -2,-0.3 3,-2.1 4,-0.2 -29,-0.3 -0.346 64.0 -67.1 -79.0 161.5 69.3 49.1 43.6 187 335 B P T 3 S+ 0 0 54 0, 0.0 -1,-0.2 0, 0.0 -29,-0.1 -0.211 122.1 14.2 -52.5 138.1 72.6 47.3 42.7 188 336 B D T 3 S+ 0 0 79 -31,-1.8 -28,-2.4 1,-0.2 2,-0.2 0.130 108.9 112.5 86.1 -15.0 73.4 44.4 45.1 189 337 B N B < -i 160 0D 24 -3,-2.1 -32,-2.5 -30,-0.2 -31,-0.3 -0.607 64.3-112.9-113.3 152.8 69.9 44.4 46.5 190 338 B V - 0 0 7 -30,-2.8 2,-0.4 -34,-0.2 -4,-0.2 -0.319 15.4-152.5 -76.0 152.3 66.7 42.3 46.5 191 339 B S - 0 0 0 -6,-0.1 69,-2.5 -33,-0.1 2,-0.3 -0.955 23.8-127.7-116.8 145.6 63.4 43.0 44.9 192 340 B W B -J 259 0E 53 -2,-0.4 8,-1.8 67,-0.2 9,-0.5 -0.700 21.7-175.0-104.9 147.0 60.3 41.4 46.5 193 341 B R E -K 199 0F 12 65,-2.2 6,-0.3 -2,-0.3 -142,-0.1 -0.968 20.3-139.7-139.5 118.9 57.5 39.3 45.0 194 342 B H E > -K 198 0F 96 4,-2.8 4,-2.1 -2,-0.4 -2,-0.0 -0.659 21.4-131.4 -74.8 129.1 54.3 38.2 46.9 195 343 B P T 4 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -142,-0.1 0.682 102.4 17.8 -59.8 -21.8 53.6 34.6 45.9 196 344 B T T 4 S+ 0 0 90 2,-0.2 -144,-0.1 -145,-0.1 -2,-0.0 0.667 128.7 47.3-115.4 -33.3 49.9 35.4 45.2 197 345 B M T 4 S- 0 0 142 1,-0.2 2,-0.1 -142,-0.0 -145,-0.1 0.552 103.4-132.5 -88.8 -9.7 49.8 39.2 44.9 198 346 B G E < -K 194 0F 3 -4,-2.1 -4,-2.8 -147,-0.1 -1,-0.2 -0.289 47.0 -18.4 90.6-174.7 52.7 39.4 42.5 199 347 B S E > -K 193 0F 2 -6,-0.3 4,-2.5 -147,-0.3 -6,-0.3 -0.500 52.9-142.0 -72.6 132.1 55.9 41.5 42.4 200 348 B V H > S+ 0 0 44 -8,-1.8 4,-2.5 -2,-0.2 5,-0.2 0.898 100.3 48.9 -63.4 -44.0 55.7 44.7 44.5 201 349 B F H > S+ 0 0 0 -9,-0.5 4,-2.9 2,-0.2 -1,-0.2 0.927 112.6 48.8 -60.4 -46.3 57.5 46.9 41.9 202 350 B I H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.939 113.2 45.9 -60.8 -49.9 55.4 45.7 39.1 203 351 B G H X S+ 0 0 28 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.903 115.1 47.7 -58.8 -44.9 52.1 46.3 41.0 204 352 B R H X S+ 0 0 67 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.895 111.8 50.1 -63.7 -43.3 53.3 49.7 42.1 205 353 B L H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.937 110.7 49.2 -60.7 -48.7 54.4 50.6 38.5 206 354 B I H X S+ 0 0 8 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.933 111.1 50.1 -55.6 -49.4 51.0 49.6 37.0 207 355 B E H X S+ 0 0 111 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.878 112.9 45.5 -59.1 -42.1 49.1 51.6 39.6 208 356 B H H X S+ 0 0 30 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.885 113.8 49.1 -71.3 -39.5 51.2 54.7 39.0 209 357 B M H X S+ 0 0 2 -4,-2.7 4,-1.7 2,-0.2 5,-0.2 0.900 110.0 51.8 -61.1 -44.9 50.9 54.3 35.2 210 358 B Q H < S+ 0 0 37 -4,-2.9 -203,-2.9 -5,-0.2 -2,-0.2 0.881 121.1 33.9 -57.3 -39.2 47.1 53.8 35.5 211 359 B E H < S+ 0 0 85 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.857 129.0 28.5 -88.1 -39.7 46.9 57.0 37.5 212 360 B Y H >X S+ 0 0 69 -4,-3.2 4,-2.6 1,-0.2 3,-0.9 0.501 87.4 91.4-112.1 -6.0 49.5 59.4 36.1 213 361 B A T 3< S+ 0 0 1 -4,-1.7 40,-0.5 -5,-0.3 39,-0.5 0.826 87.7 60.1 -56.3 -30.7 50.1 58.5 32.5 214 362 B C T 34 S+ 0 0 20 -5,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.821 122.7 15.0 -65.1 -34.9 47.4 61.1 31.7 215 363 B S T <4 S+ 0 0 46 -3,-0.9 2,-0.3 -4,-0.1 -2,-0.2 0.541 116.3 61.7-123.4 -10.8 49.3 64.0 33.2 216 364 B C S < S- 0 0 14 -4,-2.6 36,-0.4 34,-0.0 -1,-0.1 -0.927 71.0-122.9-125.6 145.2 52.9 63.1 33.8 217 365 B D > - 0 0 15 -2,-0.3 4,-2.4 34,-0.1 3,-0.4 -0.366 42.5 -99.2 -75.5 165.6 55.8 62.0 31.5 218 366 B V H > S+ 0 0 0 32,-2.1 4,-3.0 1,-0.2 5,-0.2 0.851 122.4 55.2 -61.8 -36.7 57.5 58.7 32.3 219 367 B E H > S+ 0 0 84 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.909 111.4 46.2 -58.9 -43.8 60.5 60.2 34.2 220 368 B E H > S+ 0 0 74 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.921 113.2 48.8 -62.3 -47.3 57.9 61.9 36.5 221 369 B I H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.912 110.4 51.0 -60.5 -43.8 55.9 58.7 36.9 222 370 B F H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.876 108.0 52.4 -64.4 -39.1 59.0 56.7 37.7 223 371 B R H X S+ 0 0 120 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.909 107.4 52.7 -59.9 -43.6 60.0 59.2 40.3 224 372 B K H X S+ 0 0 56 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.890 108.2 51.1 -59.4 -40.8 56.5 58.9 41.9 225 373 B V H X S+ 0 0 0 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.923 108.6 50.8 -61.4 -46.2 57.0 55.1 42.0 226 374 B R H >< S+ 0 0 73 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.913 107.2 55.2 -58.3 -42.9 60.4 55.5 43.7 227 375 B F H >< S+ 0 0 133 -4,-2.5 3,-2.2 1,-0.3 4,-0.3 0.889 97.8 62.3 -57.0 -41.8 58.7 57.8 46.3 228 376 B S H 3< S+ 0 0 40 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.695 105.7 47.4 -60.0 -17.9 56.1 55.1 47.1 229 377 B F T << S+ 0 0 17 -3,-1.4 8,-0.3 -4,-0.6 -1,-0.3 0.359 80.6 108.4-100.7 2.4 59.0 52.9 48.3 230 378 B E < + 0 0 113 -3,-2.2 -1,-0.1 -4,-0.2 -2,-0.1 0.835 62.2 70.2 -53.0 -47.7 60.7 55.7 50.4 231 379 B Q S S- 0 0 128 -4,-0.3 2,-1.6 -3,-0.2 -1,-0.0 -0.670 80.0-142.8 -76.2 118.5 59.8 54.3 53.9 232 380 B P + 0 0 85 0, 0.0 4,-0.3 0, 0.0 2,-0.2 -0.204 43.1 156.3 -79.6 46.6 61.9 51.2 54.4 233 381 B D - 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