==== 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 3D6F . 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) . 13790.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 62.9 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 . 17 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 22.7 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 0 167 0, 0.0 3,-0.4 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 142.2 19.1 56.6 72.5 2 126 A S + 0 0 73 1,-0.2 6,-0.1 6,-0.1 7,-0.1 0.118 360.0 94.5 -99.3 18.6 16.4 53.9 72.2 3 127 A S S S+ 0 0 102 4,-0.1 -1,-0.2 3,-0.1 5,-0.1 0.644 70.4 85.7 -83.4 -16.9 15.1 55.3 68.9 4 128 A G S > S- 0 0 38 -3,-0.4 3,-1.2 3,-0.2 4,-0.0 -0.028 98.4 -91.4 -78.7-177.6 17.2 52.8 66.8 5 129 A S T 3 S+ 0 0 83 1,-0.2 68,-0.2 2,-0.1 -1,-0.1 0.777 124.0 57.0 -65.3 -29.3 16.6 49.2 65.7 6 130 A E T > S- 0 0 31 1,-0.2 3,-2.4 66,-0.1 -1,-0.2 0.486 85.3-177.1 -83.5 -4.8 18.3 47.8 68.8 7 131 A G T < - 0 0 17 -3,-1.2 -3,-0.2 1,-0.3 -1,-0.2 -0.147 65.7 -6.4 50.0-123.6 15.9 49.7 71.1 8 132 A N T 3 S+ 0 0 107 -6,-0.1 2,-0.6 -5,-0.1 -1,-0.3 0.297 104.2 112.5 -87.8 7.3 16.7 49.3 74.8 9 133 A V S < S- 0 0 4 -3,-2.4 208,-0.2 -7,-0.1 207,-0.1 -0.743 74.0-120.1 -83.4 121.6 19.4 46.7 74.2 10 134 A K - 0 0 113 206,-2.6 210,-0.2 -2,-0.6 2,-0.1 -0.399 32.6-117.2 -63.6 132.9 22.8 48.2 75.1 11 135 A L - 0 0 95 -2,-0.1 2,-0.6 250,-0.1 250,-0.2 -0.412 9.0-130.9 -77.6 144.5 25.2 48.2 72.2 12 136 A C - 0 0 3 248,-2.8 209,-0.1 -2,-0.1 -1,-0.1 -0.867 32.0-144.5 -87.8 118.4 28.4 46.3 71.9 13 137 A S > - 0 0 43 -2,-0.6 4,-2.2 1,-0.1 5,-0.1 -0.210 23.8-103.6 -77.7 173.7 31.0 48.9 70.7 14 138 A L H > S+ 0 0 120 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.866 123.6 47.8 -65.6 -38.2 33.9 48.2 68.3 15 139 A E H > S+ 0 0 149 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.851 112.5 49.1 -70.0 -37.2 36.4 48.2 71.2 16 140 A E H > S+ 0 0 61 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.879 110.9 50.4 -68.0 -40.5 34.2 45.9 73.2 17 141 A A H X S+ 0 0 7 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.883 111.2 47.4 -65.6 -41.4 33.8 43.5 70.3 18 142 A Q H X S+ 0 0 104 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.804 109.3 53.9 -72.0 -31.2 37.6 43.3 69.7 19 143 A R H X S+ 0 0 130 -4,-1.5 4,-2.4 2,-0.2 3,-0.2 0.866 108.7 50.1 -67.0 -38.2 38.2 42.7 73.4 20 144 A I H X S+ 0 0 8 -4,-1.7 4,-1.1 1,-0.2 -2,-0.2 0.902 111.5 47.7 -64.1 -42.8 35.7 39.8 73.2 21 145 A W H < S+ 0 0 98 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.593 115.6 46.3 -75.2 -12.4 37.6 38.4 70.1 22 146 A K H < S+ 0 0 162 -4,-0.7 -2,-0.2 -3,-0.2 -1,-0.2 0.795 105.9 55.1 -96.6 -38.0 40.9 38.8 71.9 23 147 A Q H < S+ 0 0 153 -4,-2.4 2,-0.4 1,-0.2 -2,-0.2 0.813 118.5 36.2 -63.8 -32.7 40.1 37.3 75.3 24 148 A K S < S- 0 0 70 -4,-1.1 -1,-0.2 1,-0.2 4,-0.1 -0.992 73.5-158.7-127.3 131.9 38.9 34.1 73.5 25 149 A S S S- 0 0 108 -2,-0.4 3,-0.2 1,-0.1 -1,-0.2 0.930 75.4 -15.3 -73.7 -98.7 40.6 32.7 70.4 26 150 A A S S+ 0 0 65 1,-0.2 -1,-0.1 228,-0.0 -5,-0.0 -0.264 108.3 98.0-105.9 44.4 38.6 30.3 68.2 27 151 A E + 0 0 123 227,-0.1 228,-3.3 -6,-0.1 2,-0.4 -0.067 58.3 92.6-124.6 31.8 35.8 29.6 70.7 28 152 A I B S-a 255 0A 2 226,-0.3 228,-0.2 -3,-0.2 -7,-0.0 -0.983 79.0-111.4-125.4 137.6 33.1 32.1 69.6 29 153 A Y - 0 0 5 226,-2.4 228,-0.3 -2,-0.4 2,-0.1 -0.489 40.9-114.6 -63.7 130.3 30.2 31.4 67.2 30 154 A P - 0 0 87 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.434 24.4-144.8 -70.2 139.8 30.7 33.3 64.0 31 155 A I - 0 0 49 -2,-0.1 3,-0.1 6,-0.0 2,-0.1 -0.879 15.1-126.1-105.7 139.3 28.2 36.0 63.1 32 156 A M - 0 0 67 -2,-0.4 72,-0.1 1,-0.2 5,-0.1 -0.357 42.8 -73.4 -79.5 161.5 27.1 36.7 59.5 33 157 A D >> - 0 0 105 1,-0.1 4,-2.1 -2,-0.1 3,-0.9 -0.314 38.0-136.6 -56.9 130.2 27.3 40.1 57.8 34 158 A K T 34 S+ 0 0 107 228,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.786 100.0 57.8 -59.6 -32.5 24.5 42.4 59.1 35 159 A S T 34 S+ 0 0 109 1,-0.2 -1,-0.2 3,-0.0 -2,-0.1 0.765 120.2 23.8 -71.4 -27.4 23.7 43.6 55.5 36 160 A S T <4 S+ 0 0 82 -3,-0.9 -2,-0.2 2,-0.0 -1,-0.2 0.584 92.3 109.4-118.5 -16.2 22.9 40.2 54.1 37 161 A R < - 0 0 36 -4,-2.1 2,-0.3 1,-0.1 66,-0.2 -0.299 48.9-155.7 -70.5 149.9 21.9 37.9 57.0 38 162 A T - 0 0 47 64,-2.5 2,-0.2 61,-0.4 64,-0.2 -0.645 16.1-172.2-127.2 72.8 18.3 36.6 57.5 39 163 A R - 0 0 4 34,-0.4 36,-2.6 -2,-0.3 2,-0.4 -0.455 4.3-162.8 -70.2 134.5 17.9 35.8 61.2 40 164 A L E -bc 75 106B 4 65,-0.6 67,-0.8 34,-0.2 2,-0.3 -0.932 10.8-179.5-120.0 143.2 14.7 34.1 62.2 41 165 A A E -bc 76 107B 0 34,-2.5 36,-2.6 -2,-0.4 2,-0.4 -0.984 11.8-151.4-136.6 149.8 13.0 33.7 65.6 42 166 A L E -bc 77 108B 1 65,-2.3 67,-3.2 -2,-0.3 2,-0.5 -0.983 6.4-170.0-126.1 129.8 9.8 31.9 66.6 43 167 A I E -bc 78 109B 0 34,-3.0 36,-3.0 -2,-0.4 2,-0.5 -0.981 1.7-175.1-116.4 122.5 7.4 32.7 69.5 44 168 A I E +bc 79 110B 3 65,-3.1 67,-2.5 -2,-0.5 2,-0.4 -0.977 12.5 174.4-113.9 116.1 4.6 30.3 70.4 45 169 A C E -bc 80 111B 1 34,-2.4 36,-1.6 -2,-0.5 2,-0.6 -0.985 17.6-160.1-128.4 125.2 2.4 31.6 73.2 46 170 A N + 0 0 1 65,-2.8 3,-0.1 -2,-0.4 67,-0.1 -0.917 28.4 147.3-105.5 117.7 -0.8 30.0 74.5 47 171 A E + 0 0 16 -2,-0.6 8,-2.0 1,-0.2 2,-0.6 0.742 60.4 56.1-112.7 -49.4 -3.1 32.4 76.4 48 172 A E - 0 0 83 6,-0.2 2,-0.3 7,-0.1 -1,-0.2 -0.824 68.4-179.6 -95.0 119.8 -6.7 31.2 75.7 49 173 A F - 0 0 25 -2,-0.6 74,-0.2 3,-0.5 73,-0.1 -0.794 32.5-133.3-117.5 158.4 -7.4 27.6 76.6 50 174 A D S S+ 0 0 91 72,-2.8 73,-0.1 -2,-0.3 -1,-0.1 0.916 101.7 8.3 -71.9 -46.5 -10.5 25.3 76.4 51 175 A S S S+ 0 0 79 73,-0.5 -1,-0.1 71,-0.5 72,-0.1 0.548 116.9 68.8-119.4 -14.3 -10.3 23.8 79.8 52 176 A I S S- 0 0 41 70,-0.3 -3,-0.5 1,-0.1 3,-0.1 -0.832 89.8 -79.1-117.0 152.7 -7.6 25.6 81.8 53 177 A P - 0 0 93 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.037 51.6 -95.9 -51.5 149.6 -7.5 29.2 83.2 54 178 A R - 0 0 144 1,-0.1 2,-1.8 -6,-0.1 -6,-0.2 -0.447 29.2-128.6 -67.9 132.1 -6.6 32.2 81.0 55 179 A R > - 0 0 0 -8,-2.0 3,-1.6 -2,-0.2 2,-0.1 -0.545 31.0-165.0 -84.7 74.9 -3.0 33.3 81.1 56 180 A T T 3 S+ 0 0 57 -2,-1.8 148,-0.1 1,-0.2 146,-0.1 -0.393 72.0 33.6 -64.3 132.5 -3.5 37.0 81.8 57 181 A G T >> S+ 0 0 9 -2,-0.1 4,-1.3 145,-0.1 3,-0.6 0.313 79.9 116.4 101.1 -5.0 -0.4 39.0 81.2 58 182 A A H <> + 0 0 0 -3,-1.6 4,-2.7 1,-0.2 5,-0.1 0.805 69.2 61.9 -63.4 -32.1 0.8 36.9 78.3 59 183 A E H 3> S+ 0 0 91 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.823 101.0 53.3 -64.0 -33.0 0.4 39.8 75.9 60 184 A V H <> S+ 0 0 68 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.906 110.1 47.7 -65.2 -44.3 3.1 41.6 77.9 61 185 A D H X S+ 0 0 3 -4,-1.3 4,-2.6 2,-0.2 5,-0.3 0.917 112.0 49.3 -61.0 -47.6 5.4 38.6 77.5 62 186 A I H X S+ 0 0 10 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.940 113.6 46.2 -57.1 -51.2 4.7 38.5 73.7 63 187 A T H X S+ 0 0 81 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.936 114.9 46.4 -57.4 -52.0 5.4 42.2 73.3 64 188 A G H X S+ 0 0 22 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.898 117.2 41.7 -60.5 -46.3 8.6 42.2 75.4 65 189 A M H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.886 113.7 52.0 -71.3 -41.7 10.1 39.1 73.8 66 190 A T H X S+ 0 0 22 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.945 114.0 43.4 -58.5 -49.9 9.1 40.1 70.2 67 191 A M H X S+ 0 0 91 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.902 113.5 51.7 -64.8 -42.0 10.7 43.5 70.6 68 192 A L H X S+ 0 0 4 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.927 110.9 46.6 -59.3 -48.8 13.8 42.1 72.3 69 193 A L H <>S+ 0 0 1 -4,-2.5 5,-2.8 2,-0.2 -1,-0.2 0.856 113.3 49.5 -65.6 -36.3 14.4 39.5 69.5 70 194 A Q H ><5S+ 0 0 94 -4,-2.0 3,-1.9 -5,-0.2 -2,-0.2 0.920 108.0 53.8 -63.2 -46.3 13.9 42.2 66.9 71 195 A N H 3<5S+ 0 0 21 -4,-2.8 190,-0.3 1,-0.3 -2,-0.2 0.846 106.5 53.4 -54.1 -36.3 16.3 44.4 68.7 72 196 A L T 3<5S- 0 0 7 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.411 129.5 -97.2 -83.4 -0.3 18.8 41.5 68.5 73 197 A G T < 5S+ 0 0 35 -3,-1.9 -34,-0.4 1,-0.3 2,-0.4 0.542 79.0 133.2 101.2 11.1 18.4 41.3 64.8 74 198 A Y < - 0 0 5 -5,-2.8 2,-0.6 -6,-0.1 -1,-0.3 -0.746 54.7-132.6 -98.6 138.1 15.8 38.5 64.4 75 199 A S E -b 40 0B 75 -36,-2.6 -34,-2.5 -2,-0.4 2,-0.5 -0.822 34.6-142.6 -83.8 121.6 12.7 38.5 62.3 76 200 A V E -b 41 0B 29 -2,-0.6 2,-0.5 -36,-0.2 -34,-0.2 -0.781 17.7-164.3-104.8 121.5 10.0 37.3 64.7 77 201 A D E -b 42 0B 43 -36,-2.6 -34,-3.0 -2,-0.5 2,-0.5 -0.885 14.6-159.1 -96.7 126.2 7.1 35.0 63.8 78 202 A V E -b 43 0B 48 -2,-0.5 2,-0.4 -36,-0.2 -34,-0.2 -0.942 11.1-179.1-113.8 123.0 4.4 35.0 66.5 79 203 A K E -b 44 0B 69 -36,-3.0 -34,-2.4 -2,-0.5 2,-0.3 -0.977 8.7-162.7-124.3 134.9 1.9 32.1 66.8 80 204 A K E +b 45 0B 104 -2,-0.4 -34,-0.2 -36,-0.2 -36,-0.0 -0.892 53.3 3.8-125.4 146.5 -0.9 32.0 69.4 81 205 A N S S+ 0 0 45 -36,-1.6 2,-0.3 -2,-0.3 -1,-0.2 0.941 76.1 164.9 52.8 68.8 -3.2 29.4 71.0 82 206 A L - 0 0 23 -3,-0.2 40,-1.6 2,-0.0 -1,-0.2 -0.851 36.3-125.0-116.6 148.0 -2.1 26.2 69.4 83 207 A T > - 0 0 17 -2,-0.3 4,-2.5 38,-0.3 5,-0.2 -0.371 40.2-101.9 -73.7 166.9 -2.6 22.5 70.1 84 208 A A H > S+ 0 0 10 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.845 127.7 51.3 -59.1 -35.0 0.5 20.3 70.6 85 209 A S H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.877 109.2 49.2 -68.2 -40.8 -0.1 19.0 67.1 86 210 A D H > S+ 0 0 67 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.877 110.0 51.7 -64.8 -40.2 -0.3 22.6 65.8 87 211 A M H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.891 109.6 49.8 -62.3 -41.7 2.9 23.4 67.6 88 212 A T H X S+ 0 0 50 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.911 112.1 47.4 -62.3 -45.9 4.6 20.4 66.0 89 213 A T H X S+ 0 0 80 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.901 113.5 48.4 -61.2 -43.3 3.4 21.5 62.5 90 214 A E H X S+ 0 0 46 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.863 111.2 49.6 -66.9 -38.7 4.6 25.1 63.2 91 215 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.853 110.5 50.9 -68.4 -36.4 8.0 23.9 64.4 92 216 A E H X S+ 0 0 107 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.901 111.0 48.0 -67.0 -42.8 8.3 21.7 61.3 93 217 A A H >< S+ 0 0 49 -4,-2.2 3,-0.5 1,-0.2 4,-0.3 0.893 110.2 52.7 -62.6 -42.0 7.5 24.6 59.0 94 218 A F H >< S+ 0 0 4 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.887 106.3 52.5 -62.0 -41.5 10.0 26.8 60.9 95 219 A A H 3< S+ 0 0 8 -4,-1.9 53,-0.3 1,-0.2 -1,-0.2 0.714 107.6 54.1 -66.4 -22.1 12.8 24.2 60.4 96 220 A H T << S+ 0 0 141 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.401 78.7 125.7 -92.0 -0.9 12.0 24.3 56.7 97 221 A R X - 0 0 76 -3,-1.3 3,-1.1 -4,-0.3 4,-0.3 -0.398 59.0-141.6 -66.0 131.8 12.4 28.1 56.3 98 222 A P G > S+ 0 0 101 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.704 93.4 73.0 -66.0 -20.0 14.9 29.1 53.5 99 223 A E G > S+ 0 0 54 1,-0.2 3,-0.8 2,-0.2 -61,-0.4 0.753 80.5 70.4 -68.1 -27.1 16.2 32.0 55.7 100 224 A H G X S+ 0 0 0 -3,-1.1 3,-1.6 1,-0.2 -1,-0.2 0.817 89.1 64.2 -59.3 -32.3 18.1 29.7 58.1 101 225 A K G < S+ 0 0 151 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.845 110.0 37.4 -59.7 -37.5 20.6 29.0 55.3 102 226 A T G < S+ 0 0 70 -3,-0.8 -64,-2.5 -4,-0.5 2,-0.3 -0.101 106.9 90.9-106.2 32.9 21.6 32.6 55.3 103 227 A S < - 0 0 0 -3,-1.6 3,-0.1 -66,-0.2 -64,-0.1 -0.848 61.0-153.1-122.2 161.0 21.3 32.9 59.1 104 228 A D S S- 0 0 8 -2,-0.3 2,-0.3 1,-0.2 -4,-0.1 0.470 74.6 -6.5-109.7 -5.8 23.9 32.4 61.9 105 229 A S - 0 0 0 47,-0.2 -65,-0.6 -65,-0.0 2,-0.3 -0.971 57.8-139.8-173.1 171.0 21.5 31.4 64.8 106 230 A T E -cd 40 154B 0 47,-2.1 49,-2.7 -2,-0.3 2,-0.4 -0.993 3.2-149.9-150.8 154.2 17.9 31.1 66.0 107 231 A F E -cd 41 155B 1 -67,-0.8 -65,-2.3 -2,-0.3 2,-0.5 -0.992 9.1-168.8-121.4 133.0 15.7 31.7 69.0 108 232 A L E -cd 42 156B 1 47,-3.2 49,-3.2 -2,-0.4 2,-0.5 -0.993 7.0-168.8-119.3 124.7 12.6 29.6 69.9 109 233 A V E -cd 43 157B 1 -67,-3.2 -65,-3.1 -2,-0.5 2,-0.4 -0.961 4.7-175.2-118.4 126.2 10.3 30.9 72.6 110 234 A F E +cd 44 158B 2 47,-3.1 49,-3.0 -2,-0.5 2,-0.4 -0.983 4.6 175.7-121.0 127.5 7.5 28.8 74.2 111 235 A M E +cd 45 159B 1 -67,-2.5 -65,-2.8 -2,-0.4 2,-0.3 -0.964 27.7 103.0-136.7 116.7 5.1 30.3 76.7 112 236 A S S S- 0 0 2 47,-2.2 49,-0.3 -2,-0.4 2,-0.2 -0.934 72.1 -57.1-165.4-179.5 2.1 28.4 78.1 113 237 A H - 0 0 19 -2,-0.3 7,-2.6 7,-0.2 2,-0.3 -0.519 60.4-160.5 -67.9 149.8 0.7 26.4 81.0 114 238 A G E -G 119 0C 10 152,-1.5 49,-0.4 5,-0.2 2,-0.2 -0.991 19.6-172.9-141.5 149.2 2.9 23.5 81.9 115 239 A I E > -G 118 0C 50 3,-2.2 3,-0.7 -2,-0.3 48,-0.1 -0.703 50.6 -84.1-123.8-178.3 2.9 20.2 83.7 116 240 A Q T 3 S+ 0 0 129 1,-0.2 78,-0.1 -2,-0.2 3,-0.1 0.873 126.4 52.4 -52.4 -41.7 5.7 17.6 84.6 117 241 A E T 3 S- 0 0 124 1,-0.1 2,-0.3 16,-0.1 17,-0.3 0.742 119.9 -88.4 -72.0 -28.5 5.4 16.0 81.2 118 242 A G E < -G 115 0C 17 -3,-0.7 -3,-2.2 15,-0.2 2,-0.4 -0.988 69.0 -7.5 158.1-145.0 5.9 19.2 79.2 119 243 A I E -GH 114 132C 7 13,-3.0 13,-3.0 -2,-0.3 2,-0.3 -0.769 60.0-125.3-100.2 130.1 4.1 22.2 77.6 120 244 A C E - H 0 131C 2 -7,-2.6 -7,-0.2 -2,-0.4 11,-0.2 -0.516 16.1-146.8 -79.1 134.0 0.3 22.4 77.4 121 245 A G > - 0 0 0 9,-3.4 3,-1.6 -2,-0.3 -38,-0.3 -0.399 37.2 -93.5 -84.8 172.4 -1.6 22.9 74.1 122 246 A K T 3 S+ 0 0 46 -40,-1.6 -72,-2.8 1,-0.3 -71,-0.5 0.754 123.5 48.9 -60.4 -28.2 -4.9 24.9 73.9 123 247 A K T 3 S+ 0 0 113 -74,-0.2 -1,-0.3 -73,-0.1 5,-0.1 0.316 82.0 140.2 -96.2 7.2 -7.1 21.8 74.3 124 248 A H < + 0 0 14 -3,-1.6 -73,-0.5 6,-0.3 2,-0.3 -0.228 16.9 157.4 -62.0 134.6 -5.3 20.4 77.3 125 249 A S - 0 0 16 3,-1.2 5,-0.1 -74,-0.1 -73,-0.1 -0.954 52.5-112.1-144.5 162.9 -7.2 18.8 80.2 126 250 A E S S+ 0 0 180 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.838 119.9 47.3 -62.6 -34.1 -6.3 16.2 82.9 127 251 A Q S S+ 0 0 159 1,-0.3 -1,-0.2 -3,-0.0 -3,-0.1 0.945 126.9 24.0 -71.6 -52.5 -8.6 13.7 81.2 128 252 A V S S- 0 0 103 -5,-0.1 -3,-1.2 2,-0.0 -1,-0.3 -0.870 87.4-149.6-119.6 94.4 -7.3 14.2 77.7 129 253 A P - 0 0 85 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.314 13.2-168.6 -65.5 143.6 -3.8 15.6 77.8 130 254 A D + 0 0 26 -9,-0.2 -9,-3.4 -5,-0.1 2,-0.4 -0.802 28.5 161.2-132.2 88.2 -2.5 17.9 75.0 131 255 A I E -H 120 0C 39 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.2 -0.925 34.6-157.7-124.1 132.2 1.3 18.1 75.6 132 256 A L E -H 119 0C 4 -13,-3.0 -13,-3.0 -2,-0.4 2,-0.2 -0.944 26.3-141.4-100.2 124.5 4.4 19.1 73.6 133 257 A Q >> - 0 0 121 -2,-0.5 4,-1.1 -15,-0.2 3,-0.8 -0.607 13.9-128.8 -86.4 146.0 7.5 17.5 75.1 134 258 A L H 3> S+ 0 0 39 -17,-0.3 4,-1.8 -2,-0.2 3,-0.3 0.863 109.0 63.1 -57.9 -37.6 10.8 19.4 75.2 135 259 A N H 3> S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.821 99.0 54.3 -56.7 -35.6 12.5 16.4 73.5 136 260 A A H <> S+ 0 0 30 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.874 103.8 54.9 -67.5 -39.8 10.3 16.9 70.4 137 261 A I H X S+ 0 0 0 -4,-1.1 4,-1.0 -3,-0.3 -2,-0.2 0.941 111.4 44.3 -57.8 -51.2 11.5 20.6 70.1 138 262 A F H >X S+ 0 0 0 -4,-1.8 4,-0.8 1,-0.2 3,-0.7 0.925 112.9 51.7 -58.2 -49.3 15.1 19.4 70.1 139 263 A N H >< S+ 0 0 61 -4,-2.2 3,-0.7 1,-0.2 6,-0.5 0.891 109.0 50.0 -56.3 -44.0 14.4 16.6 67.7 140 264 A M H 3< S+ 0 0 21 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.715 116.8 41.1 -70.2 -21.7 12.6 18.9 65.2 141 265 A L H << S+ 0 0 0 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.380 92.1 110.6-107.6 1.6 15.5 21.4 65.2 142 266 A N S < + 0 0 0 -4,-2.7 3,-1.6 -7,-0.1 -1,-0.3 -0.544 63.6 164.6-140.7 72.0 17.0 21.1 60.3 147 271 A P G > S+ 0 0 87 0, 0.0 3,-1.4 0, 0.0 -4,-0.1 0.729 71.5 70.8 -61.2 -23.1 20.3 20.8 58.4 148 272 A S G 3 S+ 0 0 34 -53,-0.3 -45,-0.2 1,-0.3 -5,-0.1 0.701 97.3 50.6 -67.3 -20.9 20.2 24.5 57.6 149 273 A L G X S+ 0 0 0 -3,-1.6 3,-2.0 -7,-0.2 -1,-0.3 0.212 78.4 140.3-103.0 13.6 21.0 25.3 61.3 150 274 A K T < S+ 0 0 87 -3,-1.4 34,-0.1 1,-0.3 31,-0.0 -0.349 78.1 5.6 -53.0 130.5 23.9 22.9 61.5 151 275 A D T 3 S+ 0 0 74 1,-0.2 -1,-0.3 32,-0.1 33,-0.1 0.504 108.1 115.7 69.3 8.4 26.8 24.4 63.6 152 276 A K S < S- 0 0 33 -3,-2.0 -47,-0.2 31,-0.2 -1,-0.2 -0.890 74.4-102.7-113.7 138.0 24.5 27.4 64.5 153 277 A P - 0 0 1 0, 0.0 -47,-2.1 0, 0.0 2,-0.5 -0.337 31.0-166.0 -60.5 130.0 23.3 28.2 68.0 154 278 A K E -de 106 185B 1 30,-2.6 32,-2.0 -49,-0.2 2,-0.6 -0.954 5.9-163.8-120.3 106.7 19.7 27.3 68.7 155 279 A V E -de 107 186B 0 -49,-2.7 -47,-3.2 -2,-0.5 2,-0.5 -0.836 2.2-166.2 -99.7 119.4 18.4 28.9 71.8 156 280 A I E -de 108 187B 0 30,-3.1 32,-2.7 -2,-0.6 2,-0.5 -0.915 2.8-170.8-108.5 122.5 15.2 27.5 73.3 157 281 A I E -de 109 188B 3 -49,-3.2 -47,-3.1 -2,-0.5 2,-0.5 -0.963 3.7-170.8-115.6 125.6 13.3 29.6 76.0 158 282 A I E -de 110 189B 11 30,-2.5 32,-1.9 -2,-0.5 2,-0.7 -0.947 12.5-172.9-126.0 114.3 10.5 28.0 77.9 159 283 A Q E +d 111 0B 0 -49,-3.0 -47,-2.2 -2,-0.5 2,-0.2 -0.927 45.5 103.3 -98.5 112.8 8.1 29.8 80.2 160 284 A A S S- 0 0 4 -2,-0.7 31,-0.2 -49,-0.2 30,-0.2 -0.882 71.3 -94.0-178.0 151.1 5.9 27.2 81.9 161 285 A C - 0 0 6 105,-3.1 35,-0.2 -49,-0.3 -43,-0.1 -0.369 22.8-156.9 -64.9 156.3 5.4 25.3 85.2 162 286 A R - 0 0 49 33,-2.5 32,-1.6 1,-0.3 2,-0.3 0.082 69.5 -29.4-122.6 20.0 7.1 21.9 85.4 163 287 A G S S- 0 0 8 -49,-0.4 -1,-0.3 32,-0.2 34,-0.1 -0.937 74.5 -78.1 153.4-173.1 4.8 20.6 88.1 164 288 A D S S+ 0 0 160 -2,-0.3 31,-0.2 -3,-0.1 32,-0.1 0.586 83.6 111.5 -95.0 -14.4 2.7 21.6 91.1 165 289 A S B -i 195 0D 56 29,-1.9 31,-2.6 1,-0.1 -3,-0.2 -0.302 67.5-133.9 -73.6 146.3 5.4 22.1 93.7 166 290 A P - 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