==== 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 HYDROLASE 14-JAN-10 3LEA . COMPND 2 MOLECULE: DISINTEGRIN AND METALLOPROTEINASE DOMAIN-CONTAINI . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.ORTH . 519 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24187.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 34 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 2 0 0 0 0 0 0 0 0 2 2 0 2 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 4 0 0 2 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 . 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 2 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 1 217 A D 0 0 208 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.4 49.0 -9.6 14.6 2 218 A P - 0 0 126 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.326 360.0 -99.1 -64.0 144.3 46.6 -6.6 14.6 3 219 A D - 0 0 144 1,-0.1 2,-0.2 2,-0.0 0, 0.0 -0.267 45.6 -99.8 -59.0 143.0 42.9 -7.4 15.0 4 220 A P - 0 0 108 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.519 33.1-154.5 -72.1 137.1 40.9 -7.5 11.7 5 221 A M - 0 0 124 -2,-0.2 2,-1.6 252,-0.1 252,-0.4 -0.948 8.0-158.5-116.6 109.4 38.9 -4.3 10.9 6 222 A K + 0 0 93 -2,-0.6 250,-0.2 1,-0.2 248,-0.2 -0.708 50.3 129.2 -82.2 81.7 35.9 -4.8 8.7 7 223 A N + 0 0 14 -2,-1.6 53,-1.7 248,-1.1 2,-0.5 0.327 38.6 89.0-123.2 6.0 35.9 -1.1 7.7 8 224 A T E -aB 60 255A 0 247,-2.5 247,-2.3 51,-0.2 2,-0.8 -0.931 59.1-148.8-118.2 125.1 35.8 -1.1 3.9 9 225 A a E -a 61 0A 0 51,-3.3 53,-1.6 -2,-0.5 2,-0.3 -0.768 26.6-145.1 -86.3 107.1 32.7 -1.0 1.7 10 226 A K E -a 62 0A 14 -2,-0.8 108,-1.7 243,-0.4 107,-0.9 -0.613 16.6-148.1 -78.0 135.4 33.9 -3.0 -1.5 11 227 A L E -ac 63 118A 0 51,-3.0 53,-3.8 -2,-0.3 54,-1.7 -0.871 20.7-151.5-114.1 145.4 32.4 -1.8 -4.7 12 228 A L E -ac 65 119A 1 106,-2.2 108,-2.7 -2,-0.4 2,-0.5 -0.936 27.6-161.6 -99.9 119.4 31.5 -3.2 -8.1 13 229 A V E -ac 66 120A 0 52,-3.2 54,-2.9 -2,-0.6 2,-0.4 -0.925 6.1-168.5-107.4 127.4 31.9 -0.3 -10.5 14 230 A V E -ac 67 121A 0 106,-2.9 108,-3.3 -2,-0.5 2,-0.5 -0.974 9.4-166.2-118.3 130.7 30.2 -0.5 -13.9 15 231 A A E -ac 68 122A 0 52,-2.6 54,-2.8 -2,-0.4 108,-0.2 -0.967 19.3-149.0-113.7 115.4 30.9 1.8 -16.8 16 232 A D > - 0 0 0 106,-2.0 4,-2.5 -2,-0.5 5,-0.2 -0.163 34.4 -90.0 -75.2 179.3 28.2 1.5 -19.5 17 233 A H H > S+ 0 0 28 54,-0.2 4,-2.0 1,-0.2 5,-0.2 0.808 126.8 55.7 -61.4 -31.3 28.7 2.0 -23.3 18 234 A R H > S+ 0 0 19 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.933 110.7 43.1 -66.8 -50.1 27.9 5.7 -23.0 19 235 A F H >>S+ 0 0 0 103,-0.3 4,-2.8 1,-0.2 5,-2.1 0.933 112.9 53.7 -59.2 -50.9 30.6 6.3 -20.3 20 236 A Y H <5S+ 0 0 29 -4,-2.5 6,-2.6 49,-0.3 7,-0.5 0.895 116.9 37.3 -52.0 -44.9 33.1 4.1 -22.3 21 237 A R H <5S+ 0 0 164 -4,-2.0 4,-0.4 4,-0.2 -2,-0.2 0.950 127.1 31.3 -75.3 -53.8 32.6 6.3 -25.5 22 238 A Y H <5S+ 0 0 114 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.683 135.1 22.1 -84.5 -20.4 32.2 9.8 -24.1 23 239 A M T <5S+ 0 0 26 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.753 127.3 43.7-110.9 -45.8 34.4 9.6 -21.0 24 240 A G S > - 0 0 99 -3,-1.8 4,-1.9 -7,-0.5 -1,-0.2 -0.988 60.3-148.3-130.3 136.8 39.6 2.9 -24.4 28 244 A E H > S+ 0 0 104 -2,-0.4 4,-2.9 2,-0.2 5,-0.2 0.905 101.6 49.0 -62.6 -49.2 39.7 0.5 -21.5 29 245 A S H > S+ 0 0 69 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.927 112.7 47.2 -59.4 -49.3 42.9 2.1 -19.9 30 246 A T H > S+ 0 0 48 -6,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.885 115.3 46.8 -60.1 -40.8 41.3 5.7 -20.0 31 247 A T H X S+ 0 0 0 -4,-1.9 4,-1.8 -7,-0.4 -2,-0.2 0.959 114.8 46.1 -65.7 -51.6 38.0 4.3 -18.6 32 248 A T H X S+ 0 0 31 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.880 111.5 50.9 -57.3 -49.5 39.7 2.4 -15.8 33 249 A N H X S+ 0 0 91 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.894 108.5 51.2 -60.6 -42.6 42.1 5.2 -14.8 34 250 A Y H X S+ 0 0 40 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.911 115.1 42.8 -59.2 -47.6 39.2 7.8 -14.5 35 251 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.874 113.1 50.5 -68.9 -42.3 37.2 5.4 -12.2 36 252 A I H X S+ 0 0 84 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.935 114.9 44.0 -62.4 -48.7 40.2 4.3 -10.1 37 253 A E H X S+ 0 0 117 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.903 114.2 50.5 -64.2 -41.2 41.3 7.9 -9.4 38 254 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.956 111.3 47.1 -62.8 -50.3 37.6 9.1 -8.8 39 255 A I H X S+ 0 0 4 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.910 111.5 51.6 -58.9 -43.3 36.9 6.3 -6.2 40 256 A D H X S+ 0 0 90 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.891 110.8 47.3 -59.9 -43.8 40.3 6.9 -4.4 41 257 A R H X S+ 0 0 75 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.879 114.1 47.5 -68.3 -36.2 39.5 10.7 -4.0 42 258 A V H >X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 3,-0.5 0.939 109.2 54.7 -69.0 -41.8 36.0 9.9 -2.8 43 259 A D H 3X S+ 0 0 2 -4,-3.2 4,-3.5 1,-0.2 5,-0.4 0.881 100.4 59.7 -55.7 -41.6 37.6 7.3 -0.4 44 260 A D H 3X S+ 0 0 59 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.878 106.8 48.4 -54.1 -39.3 39.8 10.2 1.0 45 261 A I H << S+ 0 0 30 -4,-1.1 4,-0.4 -3,-0.5 -2,-0.2 0.957 120.2 35.6 -64.0 -55.7 36.6 12.0 2.0 46 262 A Y H >< S+ 0 0 0 -4,-1.9 3,-1.9 2,-0.2 13,-0.4 0.965 116.3 51.6 -63.2 -56.3 35.0 8.8 3.7 47 263 A R H 3< S+ 0 0 65 -4,-3.5 11,-1.8 1,-0.3 12,-0.2 0.795 113.0 47.0 -54.4 -33.0 38.2 7.3 5.2 48 264 A N T 3< S+ 0 0 110 -4,-1.3 2,-0.4 -5,-0.4 -1,-0.3 0.461 87.5 104.8 -89.1 -6.8 39.1 10.6 6.9 49 265 A T < - 0 0 16 -3,-1.9 2,-1.0 -4,-0.4 10,-0.4 -0.667 63.6-145.9 -81.4 131.6 35.7 11.4 8.4 50 266 A A > - 0 0 22 -2,-0.4 3,-1.7 1,-0.2 7,-0.3 -0.851 15.3-163.7 -93.4 96.3 35.4 10.8 12.1 51 267 A W T 3 S+ 0 0 2 5,-2.4 192,-0.3 -2,-1.0 -1,-0.2 0.784 88.2 32.1 -55.9 -31.4 31.7 9.6 12.0 52 268 A D T 3 S- 0 0 59 4,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.057 115.6-109.1-111.1 16.0 31.2 10.1 15.8 53 269 A N S < S+ 0 0 89 -3,-1.7 -2,-0.1 3,-0.2 2,-0.1 0.683 101.9 58.0 59.4 23.2 33.6 13.1 16.0 54 270 A A S S- 0 0 67 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 -0.026 118.9 -28.7-138.9-117.0 36.0 10.7 17.9 55 271 A G S S+ 0 0 66 -3,-0.1 2,-2.0 1,-0.1 -2,-0.0 0.375 95.5 104.9 -97.7 -0.2 37.6 7.4 17.0 56 272 A F + 0 0 34 2,-0.0 -5,-2.4 -6,-0.0 -4,-0.3 -0.552 60.3 112.8 -84.1 72.7 35.0 6.0 14.6 57 273 A K + 0 0 78 -2,-2.0 -9,-0.2 -7,-0.3 -7,-0.2 -0.847 30.6 70.2-135.3 170.1 37.1 6.8 11.5 58 274 A G + 0 0 20 -11,-1.8 2,-0.6 -9,-0.3 -11,-0.2 0.563 65.1 136.2 89.9 13.6 39.0 4.8 8.8 59 275 A Y + 0 0 46 -10,-0.4 -1,-0.3 -13,-0.4 -10,-0.3 -0.848 28.2 123.7 -96.2 119.5 35.7 3.7 7.2 60 276 A G E -a 8 0A 0 -53,-1.7 -51,-3.3 -2,-0.6 2,-0.3 -0.624 50.5 -83.6-148.9-153.7 35.7 3.9 3.4 61 277 A I E -a 9 0A 2 -53,-0.2 2,-0.3 -2,-0.2 -51,-0.2 -0.953 24.5-176.2-133.6 151.0 35.3 2.4 0.0 62 278 A Q E -a 10 0A 38 -53,-1.6 -51,-3.0 -2,-0.3 2,-0.4 -0.991 34.1-108.6-146.6 144.5 37.5 0.4 -2.4 63 279 A I E +a 11 0A 45 -2,-0.3 -51,-0.2 -53,-0.2 3,-0.1 -0.578 31.1 176.8 -73.7 128.7 36.9 -1.0 -5.9 64 280 A E E S- 0 0 109 -53,-3.8 2,-0.3 1,-0.4 -52,-0.2 0.827 70.5 -0.2 -93.6 -46.7 36.5 -4.8 -5.8 65 281 A Q E -a 12 0A 89 -54,-1.7 -52,-3.2 2,-0.0 2,-0.5 -0.997 57.3-149.9-147.5 146.5 35.7 -5.1 -9.5 66 282 A I E -a 13 0A 47 -2,-0.3 2,-0.5 -54,-0.2 -52,-0.2 -0.985 11.7-166.1-116.7 124.6 35.4 -2.9 -12.6 67 283 A R E -a 14 0A 91 -54,-2.9 -52,-2.6 -2,-0.5 2,-0.5 -0.959 5.0-164.4-111.3 121.8 33.0 -4.0 -15.4 68 284 A I E -a 15 0A 32 -2,-0.5 2,-0.8 -54,-0.2 -52,-0.2 -0.945 7.1-159.0-108.8 122.4 33.4 -2.1 -18.7 69 285 A L - 0 0 25 -54,-2.8 -49,-0.3 -2,-0.5 4,-0.1 -0.901 11.2-179.1-103.2 99.8 30.6 -2.4 -21.2 70 286 A K + 0 0 108 -2,-0.8 -1,-0.1 -50,-0.1 -54,-0.1 0.711 64.9 34.8 -70.6 -25.6 32.3 -1.5 -24.5 71 287 A S S S- 0 0 81 1,-0.0 -54,-0.2 -51,-0.0 -53,-0.1 -0.912 92.6 -91.5-130.5 157.4 29.2 -1.9 -26.7 72 288 A P - 0 0 66 0, 0.0 2,-0.5 0, 0.0 12,-0.3 -0.264 50.0-103.2 -62.6 153.4 25.4 -1.3 -26.3 73 289 A Q - 0 0 81 10,-2.6 12,-0.5 8,-0.1 2,-0.3 -0.710 32.1-127.3 -79.4 125.0 23.4 -4.3 -25.1 74 290 A E - 0 0 86 -2,-0.5 2,-0.3 10,-0.1 9,-0.1 -0.573 33.9-170.2 -70.9 129.2 21.5 -5.9 -28.0 75 291 A V - 0 0 56 -2,-0.3 3,-0.1 4,-0.1 6,-0.1 -0.975 20.3-128.9-126.5 144.4 17.8 -6.2 -27.0 76 292 A K > - 0 0 54 -2,-0.3 3,-2.0 1,-0.2 0, 0.0 -0.370 56.1 -67.6 -79.3 162.8 14.8 -8.1 -28.5 77 293 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.281 124.1 12.1 -59.4 138.6 11.5 -6.0 -29.1 78 294 A G T 3 S+ 0 0 94 1,-0.3 2,-0.3 -3,-0.1 -2,-0.0 0.387 104.4 117.1 76.7 -2.9 9.8 -4.9 -25.9 79 295 A E < - 0 0 95 -3,-2.0 2,-0.3 2,-0.0 -1,-0.3 -0.743 46.3-165.1 -95.1 142.6 12.9 -5.9 -23.9 80 296 A K + 0 0 79 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 -0.916 12.6 176.3-129.4 154.0 15.0 -3.4 -22.0 81 297 A H > - 0 0 33 -2,-0.3 3,-2.0 -8,-0.1 -8,-0.1 -0.956 39.6-120.7-153.6 139.2 18.5 -3.3 -20.4 82 298 A Y T 3 S+ 0 0 5 22,-0.3 23,-0.1 -2,-0.3 14,-0.1 0.706 115.3 49.4 -56.1 -24.7 20.3 -0.5 -18.6 83 299 A N T 3 S+ 0 0 4 -67,-0.1 -10,-2.6 -66,-0.1 -1,-0.3 0.167 82.3 124.3-100.6 14.3 23.1 -0.7 -21.2 84 300 A M S < S- 0 0 12 -3,-2.0 -10,-0.1 -12,-0.3 -4,-0.0 -0.365 72.1-115.8 -72.9 156.4 20.9 -0.7 -24.4 85 301 A A S S+ 0 0 61 -12,-0.5 2,-0.2 2,-0.1 -1,-0.1 0.879 93.5 69.9 -58.6 -42.5 21.6 2.0 -27.1 86 302 A K S S- 0 0 114 1,-0.1 2,-0.2 9,-0.0 -2,-0.1 -0.461 82.3-121.3 -83.9 150.0 18.2 3.7 -26.5 87 303 A S - 0 0 9 6,-0.4 9,-0.1 4,-0.3 8,-0.1 -0.551 41.8-107.5 -80.0 151.9 16.9 5.8 -23.6 88 304 A Y S S+ 0 0 89 -2,-0.2 9,-2.0 2,-0.1 13,-0.1 -0.988 85.5 6.4-133.8 141.9 13.8 4.5 -21.8 89 305 A P S S+ 0 0 77 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.977 137.2 34.9 -78.4 -20.1 10.8 5.3 -21.5 90 306 A N > - 0 0 71 5,-0.2 3,-1.4 1,-0.1 -2,-0.1 -0.823 60.0-172.3-103.9 103.8 11.3 8.0 -24.1 91 307 A E T 3 S+ 0 0 108 -2,-0.8 -4,-0.3 1,-0.3 -1,-0.1 0.704 84.8 66.3 -63.6 -20.2 13.9 7.1 -26.9 92 308 A E T 3 S+ 0 0 162 -6,-0.1 -1,-0.3 -5,-0.0 2,-0.2 0.761 89.4 80.9 -72.4 -24.8 13.7 10.7 -28.2 93 309 A K S < S- 0 0 111 -3,-1.4 -6,-0.4 2,-0.1 34,-0.1 -0.509 84.8-127.4 -83.0 149.8 15.3 12.0 -25.0 94 310 A D S S+ 0 0 75 32,-0.2 2,-0.3 -2,-0.2 33,-0.1 0.753 90.1 38.3 -65.2 -27.9 19.1 11.8 -24.4 95 311 A A S S- 0 0 10 31,-0.4 -5,-0.2 30,-0.1 -2,-0.1 -0.889 81.2-110.1-127.6 158.2 18.6 10.0 -21.0 96 312 A W - 0 0 6 -2,-0.3 2,-0.4 1,-0.1 -9,-0.1 -0.290 53.6 -86.3 -68.4 164.6 16.4 7.4 -19.3 97 313 A D > - 0 0 72 -9,-2.0 4,-2.2 1,-0.1 5,-0.1 -0.651 48.3-131.6 -68.6 125.9 14.0 8.5 -16.6 98 314 A V H > S+ 0 0 25 -2,-0.4 4,-2.3 1,-0.2 -1,-0.1 0.866 102.4 50.4 -55.0 -43.3 16.6 8.3 -13.7 99 315 A K H > S+ 0 0 124 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 112.6 47.6 -62.4 -43.5 14.4 6.2 -11.3 100 316 A M H > S+ 0 0 72 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.864 110.5 52.8 -66.8 -35.6 13.7 3.6 -14.1 101 317 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.922 109.7 46.9 -65.8 -46.4 17.4 3.5 -15.0 102 318 A L H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.931 114.3 48.0 -60.7 -45.2 18.4 2.8 -11.3 103 319 A E H X S+ 0 0 78 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.923 114.2 47.4 -58.4 -47.5 15.6 0.1 -11.1 104 320 A Q H X S+ 0 0 13 -4,-2.8 4,-2.8 2,-0.2 -22,-0.3 0.888 111.6 48.8 -63.1 -45.7 16.8 -1.4 -14.4 105 321 A F H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.934 112.1 50.0 -60.4 -44.5 20.5 -1.4 -13.4 106 322 A S H X S+ 0 0 2 -4,-2.6 4,-0.8 1,-0.2 57,-0.5 0.915 113.1 47.1 -60.5 -42.1 19.6 -3.1 -10.1 107 323 A F H >< S+ 0 0 66 -4,-2.4 3,-0.6 1,-0.2 4,-0.2 0.943 117.7 40.5 -62.4 -54.4 17.6 -5.7 -12.0 108 324 A D H 3< S+ 0 0 41 -4,-2.8 3,-0.2 1,-0.2 -2,-0.2 0.788 118.8 44.7 -68.7 -32.8 20.3 -6.5 -14.6 109 325 A I H >X S+ 0 0 7 -4,-2.7 4,-2.5 -5,-0.2 3,-1.0 0.479 81.0 112.9 -89.3 -3.7 23.3 -6.4 -12.2 110 326 A A H < S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.783 93.2 69.7 -66.8 -26.2 25.5 -7.0 -6.8 114 330 A S T 3< S+ 0 0 40 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.659 99.6 50.9 -63.2 -18.3 24.8 -9.9 -4.3 115 331 A K T < S+ 0 0 155 -3,-1.2 2,-0.3 -4,-0.2 -1,-0.2 0.418 104.6 60.0-102.3 -3.2 28.6 -10.3 -3.8 116 332 A V S < S- 0 0 14 -3,-1.3 3,-0.1 -4,-0.2 -105,-0.1 -0.861 78.9-122.1-125.6 159.8 29.6 -6.7 -3.1 117 333 A a S S+ 0 0 4 -107,-0.9 32,-1.4 -2,-0.3 2,-0.3 0.952 98.8 1.3 -61.0 -49.6 28.8 -4.1 -0.4 118 334 A L E -c 11 0A 0 -108,-1.7 -106,-2.2 30,-0.2 2,-0.4 -0.997 59.8-149.0-141.7 148.0 27.6 -1.7 -3.2 119 335 A A E -cd 12 166A 0 46,-2.8 48,-1.2 -2,-0.3 2,-0.4 -0.928 19.4-170.9-112.5 134.7 27.2 -1.7 -7.0 120 336 A H E -cd 13 167A 1 -108,-2.7 -106,-2.9 -2,-0.4 2,-0.4 -0.992 10.0-152.2-134.7 125.1 27.7 1.7 -8.8 121 337 A L E -cd 14 168A 0 46,-2.2 48,-2.3 -2,-0.4 2,-0.5 -0.804 4.6-158.1 -93.5 134.3 26.9 2.5 -12.4 122 338 A F E +cd 15 169A 0 -108,-3.3 -106,-2.0 -2,-0.4 -103,-0.3 -0.969 25.7 163.1-113.2 123.4 28.8 5.3 -14.2 123 339 A T E - 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0 0 16 -7,-2.7 -1,-0.1 -2,-0.3 -7,-0.0 -0.375 30.9 -90.1 -74.9 161.2 31.0 18.0 -15.8 179 395 A L >> - 0 0 98 1,-0.1 4,-2.4 -2,-0.1 3,-0.7 -0.345 33.4-118.5 -64.9 152.0 34.3 19.0 -14.1 180 396 A T H 3> S+ 0 0 81 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.892 117.2 56.5 -60.7 -38.0 36.1 16.1 -12.3 181 397 A K H 3> S+ 0 0 90 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.787 109.4 46.5 -62.6 -29.7 35.7 17.9 -9.0 182 398 A E H <> S+ 0 0 57 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.901 110.8 51.9 -76.7 -45.8 31.8 17.9 -9.7 183 399 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.910 106.8 53.7 -57.4 -44.7 31.9 14.2 -10.7 184 400 A D H X S+ 0 0 19 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.892 110.3 47.8 -57.1 -42.3 33.7 13.3 -7.4 185 401 A L H X S+ 0 0 10 -4,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.819 107.1 55.0 -68.9 -36.2 30.9 15.1 -5.4 186 402 A V H X S+ 0 0 13 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.965 112.5 42.5 -59.1 -54.0 28.1 13.4 -7.3 187 403 A T H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.904 113.9 53.0 -61.2 -40.6 29.5 9.9 -6.4 188 404 A T H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.937 112.0 45.7 -56.9 -48.5 30.2 11.2 -2.8 189 405 A H H X S+ 0 0 27 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.895 114.5 47.1 -61.4 -45.1 26.5 12.3 -2.6 190 406 A E H X S+ 0 0 13 -4,-2.6 4,-2.2 2,-0.2 3,-0.2 0.949 115.0 44.5 -65.8 -48.4 25.1 9.0 -4.1 191 407 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.841 108.1 61.7 -64.5 -31.1 27.3 6.8 -1.8 192 408 A G H <>S+ 0 0 0 -4,-2.0 5,-2.6 -5,-0.3 -2,-0.2 0.921 105.4 45.5 -57.3 -46.1 26.2 9.2 1.0 193 409 A H H ><5S+ 0 0 34 -4,-1.9 -55,-2.8 1,-0.2 3,-2.0 0.952 112.4 51.0 -62.6 -48.3 22.6 8.2 0.4 194 410 A N H 3<5S+ 0 0 0 -4,-2.2 -46,-2.3 -57,-0.3 -2,-0.2 0.804 107.7 54.0 -55.9 -36.6 23.7 4.5 0.2 195 411 A F T 3<5S- 0 0 0 -4,-2.3 51,-0.3 -48,-0.2 50,-0.3 0.354 129.7 -94.7 -81.8 0.1 25.5 4.9 3.6 196 412 A G T < 5S+ 0 0 12 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.412 77.2 137.2 104.3 0.5 22.3 6.3 5.2 197 413 A A < - 0 0 3 -5,-2.6 -1,-0.3 -6,-0.2 2,-0.2 -0.595 34.4-158.8 -80.9 145.3 22.5 10.1 4.9 198 414 A E - 0 0 89 -2,-0.3 43,-0.1 1,-0.2 21,-0.1 -0.519 42.6 -68.8-101.2 177.8 19.5 12.1 4.0 199 415 A H - 0 0 57 -2,-0.2 21,-0.2 1,-0.1 -1,-0.2 -0.360 53.3-105.7 -67.6 147.0 19.7 15.6 2.5 200 416 A D - 0 0 1 19,-1.4 2,-0.3 17,-0.1 206,-0.1 -0.619 39.9-134.6 -69.9 131.1 20.9 18.4 4.8 201 417 A P > - 0 0 7 0, 0.0 3,-1.5 0, 0.0 6,-0.2 -0.685 9.4-131.0 -92.4 150.0 17.8 20.6 5.7 202 418 A D T 3 S+ 0 0 33 198,-0.4 6,-0.1 -2,-0.3 205,-0.1 0.807 102.0 73.0 -62.1 -29.2 17.7 24.4 5.7 203 419 A G T 3 S+ 0 0 2 1,-0.2 2,-0.5 203,-0.1 -1,-0.3 0.457 88.2 62.5 -65.0 -7.3 16.2 24.3 9.2 204 420 A L X> - 0 0 3 -3,-1.5 3,-2.1 1,-0.1 4,-0.6 -0.841 66.0-169.3-123.9 89.8 19.5 23.3 10.8 205 421 A A G >4 S+ 0 0 39 -2,-0.5 3,-1.2 1,-0.3 -1,-0.1 0.823 85.9 63.2 -44.3 -42.6 22.0 26.1 10.2 206 422 A E G 34 S+ 0 0 59 1,-0.3 30,-0.3 2,-0.1 -1,-0.3 0.789 110.0 39.4 -53.1 -34.9 24.9 23.9 11.5 207 423 A c G <4 S+ 0 0 0 -3,-2.1 10,-0.5 1,-0.2 -1,-0.3 0.431 123.4 38.8 -99.2 -2.6 24.2 21.5 8.5 208 424 A A S << S- 0 0 3 -3,-1.2 -1,-0.2 -4,-0.6 8,-0.2 -0.511 81.1-175.6-143.8 67.2 23.5 24.1 5.8 209 425 A P - 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