==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 10-DEC-09 3L0T . COMPND 2 MOLECULE: DISINTEGRIN AND METALLOPROTEINASE DOMAIN-CONTAINI . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.ORTH . 509 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 5.9 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 28 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.8 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 2 0 2 0 0 0 0 2 0 0 0 2 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 . 3 2 2 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 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 1 218 A P 0 0 91 0, 0.0 5,-0.1 0, 0.0 243,-0.0 0.000 360.0 360.0 360.0 121.9 18.5 31.6 41.1 2 219 A D > - 0 0 50 3,-0.3 3,-1.6 1,-0.1 0, 0.0 -0.806 360.0-161.0 -92.1 113.1 15.5 33.8 42.1 3 220 A P T 3 S+ 0 0 83 0, 0.0 251,-0.6 0, 0.0 3,-0.4 0.663 94.0 56.9 -67.4 -12.7 13.5 32.4 45.1 4 221 A M T 3 S+ 0 0 106 1,-0.2 249,-0.2 249,-0.2 3,-0.1 0.552 117.1 33.7 -88.7 -13.2 10.6 34.6 44.1 5 222 A K S < S+ 0 0 75 -3,-1.6 -3,-0.3 247,-0.1 -1,-0.2 -0.487 85.3 103.9-141.0 60.9 10.5 33.1 40.6 6 223 A N + 0 0 29 246,-1.5 53,-1.9 -3,-0.4 2,-0.4 0.385 61.8 76.1-123.8 2.3 11.5 29.4 40.9 7 224 A T E -aB 59 252A 0 245,-2.0 245,-2.7 51,-0.2 2,-0.8 -0.972 61.8-146.4-125.7 129.9 8.2 27.5 40.6 8 225 A a E -a 60 0A 0 51,-3.0 53,-1.8 -2,-0.4 2,-0.3 -0.827 25.5-145.7 -92.0 108.8 6.1 26.6 37.5 9 226 A K E -a 61 0A 18 -2,-0.8 108,-1.6 241,-0.4 107,-0.6 -0.641 16.9-146.6 -77.6 137.2 2.5 26.7 38.8 10 227 A L E -ac 62 117A 0 51,-2.5 53,-2.9 -2,-0.3 54,-1.7 -0.837 20.7-149.5-111.9 145.7 0.2 24.2 37.1 11 228 A L E -ac 64 118A 1 106,-2.4 108,-2.8 -2,-0.4 2,-0.5 -0.952 29.8-162.8 -99.8 114.3 -3.4 23.9 36.1 12 229 A V E -ac 65 119A 0 52,-3.0 54,-2.9 -2,-0.7 2,-0.5 -0.910 4.4-165.6-103.1 132.0 -4.0 20.2 36.4 13 230 A V E -ac 66 120A 0 106,-2.9 108,-3.2 -2,-0.5 2,-0.6 -0.972 9.4-166.3-121.7 125.9 -7.1 18.8 34.7 14 231 A A E -ac 67 121A 0 52,-2.9 54,-2.6 -2,-0.5 108,-0.2 -0.937 19.2-148.7-106.0 120.1 -8.6 15.4 35.3 15 232 A D > - 0 0 0 106,-2.0 4,-2.6 -2,-0.6 5,-0.2 -0.181 32.8 -92.6 -79.0 179.2 -11.1 14.4 32.6 16 233 A H H > S+ 0 0 25 54,-0.2 4,-2.3 2,-0.2 5,-0.2 0.833 126.7 53.9 -60.0 -33.1 -14.2 12.2 33.1 17 234 A R H > S+ 0 0 19 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.956 111.2 44.3 -67.2 -49.8 -12.2 9.1 32.1 18 235 A F H >>S+ 0 0 0 103,-0.3 4,-2.5 1,-0.2 5,-1.6 0.896 113.8 51.7 -58.1 -44.6 -9.5 9.8 34.7 19 236 A Y H <5S+ 0 0 26 -4,-2.6 6,-2.1 49,-0.4 7,-0.5 0.915 116.9 38.5 -61.5 -44.8 -12.2 10.6 37.3 20 237 A R H <5S+ 0 0 161 -4,-2.3 4,-0.4 4,-0.2 -2,-0.2 0.940 126.9 31.7 -71.4 -50.9 -14.1 7.4 36.7 21 238 A Y H <5S+ 0 0 121 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.658 133.8 23.2 -88.1 -21.9 -11.2 5.0 36.2 22 239 A M T <5S+ 0 0 27 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.658 129.5 42.3-110.9 -34.6 -8.4 6.4 38.5 23 240 A G S > - 0 0 100 -3,-2.1 4,-1.9 -7,-0.5 -1,-0.2 -0.989 60.6-148.6-129.0 134.8 -14.6 10.3 43.8 27 244 A E H > S+ 0 0 95 -2,-0.4 4,-2.5 2,-0.2 5,-0.2 0.860 99.9 52.5 -63.7 -42.8 -13.0 13.8 44.0 28 245 A S H > S+ 0 0 69 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.938 111.7 46.0 -62.5 -46.3 -10.8 13.0 47.1 29 246 A T H > S+ 0 0 52 -6,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.899 114.7 49.0 -62.4 -43.6 -9.3 9.9 45.3 30 247 A T H X S+ 0 0 0 -4,-1.9 4,-1.7 -7,-0.4 -2,-0.2 0.938 115.7 40.4 -59.9 -57.8 -8.8 11.8 42.1 31 248 A T H X S+ 0 0 24 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.864 112.0 55.4 -64.9 -39.8 -7.0 14.9 43.7 32 249 A N H X S+ 0 0 92 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.921 108.2 49.5 -59.8 -45.5 -4.9 12.8 46.1 33 250 A Y H X S+ 0 0 37 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.933 116.1 42.8 -55.9 -49.7 -3.5 10.7 43.3 34 251 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.901 112.5 51.4 -66.3 -44.7 -2.6 13.9 41.3 35 252 A I H X S+ 0 0 86 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.921 113.8 45.0 -58.3 -47.1 -1.2 15.9 44.3 36 253 A E H X S+ 0 0 117 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.900 113.2 50.3 -68.6 -39.1 1.1 12.9 45.2 37 254 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.933 112.4 45.4 -63.1 -50.3 2.2 12.4 41.6 38 255 A I H X S+ 0 0 4 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.890 111.0 54.0 -61.8 -39.1 3.1 16.1 41.0 39 256 A D H X S+ 0 0 88 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.925 110.8 46.1 -60.7 -42.4 4.9 16.3 44.4 40 257 A R H X S+ 0 0 74 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.892 113.4 48.7 -66.7 -39.7 7.1 13.2 43.4 41 258 A V H >X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 3,-0.6 0.935 108.2 55.7 -63.5 -42.6 7.8 14.7 39.9 42 259 A D H 3X S+ 0 0 3 -4,-3.0 4,-3.4 1,-0.2 5,-0.3 0.876 100.1 59.4 -56.1 -40.3 8.6 18.0 41.8 43 260 A D H 3X S+ 0 0 58 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.887 106.4 47.5 -57.0 -39.0 11.3 16.1 43.8 44 261 A I H << S+ 0 0 18 -4,-1.2 4,-0.3 -3,-0.6 -1,-0.2 0.960 118.8 40.0 -66.7 -47.3 13.0 15.2 40.6 45 262 A Y H >< S+ 0 0 0 -4,-1.9 3,-1.8 1,-0.2 13,-0.4 0.953 114.1 50.0 -64.2 -56.7 12.9 18.8 39.2 46 263 A R H 3< S+ 0 0 64 -4,-3.4 11,-2.0 1,-0.3 12,-0.2 0.799 113.3 47.8 -55.9 -33.6 13.7 20.7 42.4 47 264 A N T 3< S+ 0 0 110 -4,-1.4 2,-0.5 -5,-0.3 -1,-0.3 0.427 87.6 106.2 -89.5 -3.3 16.8 18.5 43.1 48 265 A T < - 0 0 11 -3,-1.8 2,-0.9 -4,-0.3 10,-0.4 -0.711 62.1-147.8 -84.7 128.5 18.2 18.8 39.6 49 266 A A > - 0 0 17 -2,-0.5 3,-0.7 7,-0.2 7,-0.3 -0.852 10.1-165.5 -93.2 97.0 21.3 21.0 39.2 50 267 A W T 3 S+ 0 0 3 5,-2.4 190,-0.3 -2,-0.9 -1,-0.1 0.702 91.6 30.9 -60.8 -22.0 20.6 22.3 35.6 51 268 A D T 3 S- 0 0 55 4,-0.4 -1,-0.2 189,-0.1 3,-0.1 0.339 114.1-110.9-113.3 -0.6 24.3 23.6 35.5 52 269 A N S < S+ 0 0 88 -3,-0.7 -2,-0.1 1,-0.2 2,-0.1 0.691 99.7 65.6 70.3 27.2 25.8 20.8 37.8 53 270 A A S S- 0 0 52 2,-0.1 -1,-0.2 376,-0.0 376,-0.0 -0.074 117.3 -37.1-137.5-127.7 26.4 23.6 40.4 54 271 A G S S+ 0 0 53 1,-0.1 2,-1.4 -3,-0.1 -5,-0.0 0.145 96.1 108.3 -98.6 15.4 24.0 25.7 42.5 55 272 A F + 0 0 11 2,-0.0 -5,-2.4 3,-0.0 -4,-0.4 -0.591 57.3 103.6 -96.3 71.5 21.4 26.2 39.7 56 273 A K + 0 0 115 -2,-1.4 -9,-0.2 -7,-0.3 -7,-0.2 -0.787 28.4 82.7-134.9 176.8 18.8 23.9 41.4 57 274 A G + 0 0 21 -11,-2.0 2,-0.5 1,-0.3 -11,-0.2 0.434 58.3 134.9 96.8 3.7 15.6 24.4 43.4 58 275 A Y + 0 0 7 -13,-0.4 -1,-0.3 -10,-0.4 -10,-0.3 -0.751 29.5 138.8 -87.0 125.6 13.4 24.9 40.3 59 276 A G E -a 7 0A 0 -53,-1.9 -51,-3.0 -2,-0.5 2,-0.3 -0.659 44.0 -95.7-146.9-158.8 10.2 23.0 40.4 60 277 A I E -a 8 0A 1 -53,-0.2 2,-0.3 -2,-0.2 -51,-0.2 -0.974 24.3-179.4-135.2 146.5 6.5 22.6 39.9 61 278 A Q E -a 9 0A 37 -53,-1.8 -51,-2.5 -2,-0.3 2,-0.5 -0.985 32.9-109.2-145.6 149.1 3.4 23.0 42.1 62 279 A I E +a 10 0A 46 -2,-0.3 -51,-0.2 -53,-0.2 3,-0.1 -0.710 28.5 177.0 -81.3 127.6 -0.3 22.6 41.5 63 280 A E E S- 0 0 92 -53,-2.9 2,-0.3 -2,-0.5 -52,-0.2 0.815 72.3 -0.4 -90.7 -42.6 -2.2 25.9 41.4 64 281 A Q E -a 11 0A 81 -54,-1.7 -52,-3.0 2,-0.0 2,-0.5 -0.991 54.6-150.0-150.3 144.1 -5.6 24.3 40.6 65 282 A I E -a 12 0A 34 -2,-0.3 2,-0.5 -54,-0.2 -52,-0.2 -0.972 15.1-159.2-114.1 113.4 -7.1 20.9 39.9 66 283 A R E -a 13 0A 71 -54,-2.9 -52,-2.9 -2,-0.5 2,-0.6 -0.816 8.9-159.1 -90.4 128.9 -10.1 21.0 37.6 67 284 A I E -a 14 0A 38 -2,-0.5 2,-1.0 -54,-0.2 -52,-0.2 -0.935 6.2-162.9-117.1 106.7 -12.2 17.8 38.1 68 285 A L - 0 0 35 -54,-2.6 -49,-0.4 -2,-0.6 4,-0.1 -0.811 9.8-179.9 -93.8 98.3 -14.5 16.9 35.2 69 286 A K + 0 0 107 -2,-1.0 -1,-0.2 -50,-0.1 -54,-0.1 0.774 64.2 26.4 -70.8 -30.9 -16.9 14.4 36.7 70 287 A S S S- 0 0 81 -51,-0.0 -54,-0.2 1,-0.0 -53,-0.1 -0.871 94.3 -83.3-132.5 164.0 -19.0 13.7 33.6 71 288 A P - 0 0 57 0, 0.0 2,-0.5 0, 0.0 12,-0.3 -0.368 48.8-106.6 -66.4 149.1 -18.4 13.8 29.8 72 289 A Q - 0 0 85 10,-2.6 12,-0.5 8,-0.1 2,-0.2 -0.653 31.8-129.5 -76.4 118.6 -18.8 17.2 28.0 73 290 A E - 0 0 173 -2,-0.5 2,-0.3 10,-0.1 9,-0.1 -0.496 30.7-167.9 -69.1 133.2 -22.0 17.3 26.0 74 291 A V - 0 0 56 -2,-0.2 3,-0.1 4,-0.0 5,-0.1 -0.933 21.8-117.9-125.8 150.1 -21.3 18.4 22.4 75 292 A K > - 0 0 157 -2,-0.3 3,-2.4 1,-0.2 0, 0.0 -0.465 59.5 -71.2 -76.8 155.8 -23.6 19.5 19.5 76 293 A P T 3 S+ 0 0 141 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.276 123.9 9.9 -54.5 130.3 -23.5 17.3 16.4 77 294 A G T 3 S+ 0 0 94 1,-0.2 2,-0.4 -3,-0.1 -2,-0.0 0.367 102.9 115.4 80.9 -2.5 -20.1 17.8 14.6 78 295 A E < - 0 0 94 -3,-2.4 2,-0.3 2,-0.0 -1,-0.2 -0.812 50.3-155.6 -97.8 139.4 -18.6 19.8 17.6 79 296 A K + 0 0 69 -2,-0.4 2,-0.3 -3,-0.1 -4,-0.1 -0.842 16.0 175.6-119.3 153.9 -15.6 18.4 19.5 80 297 A H > - 0 0 32 -2,-0.3 3,-1.9 -8,-0.1 24,-0.1 -0.967 38.7-121.8-150.3 142.7 -14.2 18.9 23.1 81 298 A Y T 3 S+ 0 0 5 22,-0.3 23,-0.1 -2,-0.3 14,-0.1 0.749 114.7 48.7 -60.3 -27.8 -11.3 17.1 24.8 82 299 A N T 3 S+ 0 0 3 -67,-0.1 -10,-2.6 -66,-0.1 -1,-0.3 0.204 84.2 126.3 -95.1 12.8 -13.7 15.9 27.6 83 300 A M S < S- 0 0 13 -3,-1.9 -10,-0.1 -12,-0.3 -67,-0.1 -0.241 71.0-116.7 -70.2 160.4 -16.4 14.6 25.2 84 301 A A S S+ 0 0 67 -12,-0.5 2,-0.2 -13,-0.1 -1,-0.1 0.898 92.7 67.8 -64.1 -42.3 -17.6 11.0 25.7 85 302 A K S S- 0 0 42 1,-0.1 2,-0.2 9,-0.0 -2,-0.1 -0.473 82.0-120.7 -86.4 151.3 -16.4 9.8 22.2 86 303 A S - 0 0 8 6,-0.4 9,-0.1 4,-0.3 8,-0.1 -0.519 40.9-106.3 -78.9 157.9 -12.8 9.4 21.0 87 304 A Y S S+ 0 0 85 -2,-0.2 9,-2.1 1,-0.1 13,-0.1 -0.992 86.0 4.3-139.2 139.5 -11.8 11.5 17.9 88 305 A P S S+ 0 0 76 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.998 136.2 37.6 -85.7 -3.1 -11.2 11.0 15.0 89 306 A N > - 0 0 74 5,-0.2 3,-1.8 1,-0.1 -3,-0.1 -0.859 60.7-171.9-114.4 97.9 -12.2 7.3 15.4 90 307 A E T 3 S+ 0 0 149 -2,-0.7 -4,-0.3 1,-0.3 -1,-0.1 0.651 84.1 65.5 -60.4 -18.4 -15.2 6.9 17.7 91 308 A E T 3 S+ 0 0 172 -6,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.704 89.6 83.4 -76.2 -23.0 -14.7 3.0 17.6 92 309 A K S < S- 0 0 99 -3,-1.8 -6,-0.4 2,-0.1 34,-0.1 -0.523 83.1-127.5 -85.3 150.3 -11.3 3.3 19.3 93 310 A D S S+ 0 0 69 32,-0.2 2,-0.3 -2,-0.2 33,-0.1 0.761 90.6 38.2 -62.4 -30.1 -10.8 3.6 23.1 94 311 A A S S- 0 0 10 31,-0.4 -5,-0.2 30,-0.2 -2,-0.1 -0.883 80.2-111.8-127.3 159.3 -8.6 6.7 22.6 95 312 A W - 0 0 5 -2,-0.3 2,-0.4 -9,-0.1 32,-0.3 -0.256 53.0 -87.5 -69.3 168.7 -8.3 9.9 20.6 96 313 A D > - 0 0 77 -9,-2.1 4,-2.2 1,-0.1 5,-0.1 -0.720 47.4-131.0 -73.7 127.0 -5.4 10.4 18.2 97 314 A V H > S+ 0 0 26 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.863 102.1 50.8 -56.9 -41.6 -2.9 11.8 20.8 98 315 A K H > S+ 0 0 122 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.919 112.5 46.5 -63.7 -45.5 -1.8 14.8 18.7 99 316 A M H > S+ 0 0 67 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.867 111.2 52.3 -64.7 -39.2 -5.4 15.8 18.0 100 317 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.918 110.1 47.7 -63.7 -44.5 -6.3 15.4 21.7 101 318 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.943 114.3 47.3 -62.5 -45.2 -3.4 17.7 22.8 102 319 A E H X S+ 0 0 71 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.936 114.5 47.7 -58.9 -46.7 -4.4 20.3 20.2 103 320 A Q H X S+ 0 0 16 -4,-2.8 4,-2.8 2,-0.2 -22,-0.3 0.895 111.3 48.9 -62.3 -46.1 -8.1 20.0 21.3 104 321 A F H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.968 111.3 50.2 -58.1 -48.8 -7.3 20.4 25.0 105 322 A S H < S+ 0 0 0 -4,-2.6 55,-0.5 1,-0.2 4,-0.4 0.881 112.4 48.7 -58.3 -40.3 -5.1 23.5 24.3 106 323 A F H >< S+ 0 0 57 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.953 115.1 42.6 -61.7 -53.7 -8.0 25.0 22.3 107 324 A D H 3< S+ 0 0 37 -4,-2.8 3,-0.2 1,-0.2 -2,-0.2 0.742 119.3 43.2 -67.5 -27.8 -10.6 24.3 25.0 108 325 A I T 3X S+ 0 0 1 -4,-2.2 4,-2.9 -5,-0.2 3,-0.3 0.280 79.1 117.2-100.4 6.5 -8.4 25.4 27.9 109 326 A A H <> S+ 0 0 4 -3,-1.0 4,-1.7 -4,-0.4 -1,-0.2 0.798 73.7 48.0 -46.5 -46.9 -7.0 28.5 26.2 110 327 A E H 4 S+ 0 0 128 -3,-0.2 4,-0.3 -4,-0.2 -1,-0.2 0.926 118.1 41.4 -64.7 -45.1 -8.4 31.2 28.6 111 328 A E H >4 S+ 0 0 52 -3,-0.3 3,-1.4 1,-0.2 -2,-0.2 0.892 112.2 55.5 -68.3 -40.4 -7.2 29.3 31.7 112 329 A A H >< S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.811 96.8 64.2 -63.7 -33.5 -3.8 28.4 30.0 113 330 A S T 3< S+ 0 0 43 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.638 104.8 47.8 -64.3 -16.9 -3.0 32.1 29.3 114 331 A K T < S+ 0 0 132 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.2 0.330 106.5 62.1-106.9 2.6 -2.9 32.7 33.1 115 332 A V S < S- 0 0 8 -3,-1.4 3,-0.1 -4,-0.1 -105,-0.1 -0.934 77.9-122.9-130.6 158.3 -0.7 29.8 34.2 116 333 A a S S- 0 0 3 -107,-0.6 30,-1.9 -2,-0.3 2,-0.3 0.947 96.1 -6.1 -61.4 -50.0 2.9 28.6 33.7 117 334 A L E -c 10 0A 0 -108,-1.6 -106,-2.4 28,-0.2 2,-0.4 -0.987 55.9-150.7-144.2 154.6 1.6 25.1 32.4 118 335 A A E -cd 11 163A 0 44,-2.2 46,-1.1 -2,-0.3 2,-0.4 -0.962 18.4-168.2-122.2 134.3 -1.7 23.2 32.0 119 336 A H E -cd 12 164A 0 -108,-2.8 -106,-2.9 -2,-0.4 2,-0.5 -0.993 10.6-148.8-131.3 128.7 -1.6 19.4 32.1 120 337 A L E -cd 13 165A 0 44,-2.1 46,-2.4 -2,-0.4 2,-0.5 -0.821 6.8-161.9 -92.1 129.4 -4.4 17.0 31.2 121 338 A F E +cd 14 166A 0 -108,-3.2 -106,-2.0 -2,-0.5 -103,-0.3 -0.961 24.5 164.0-110.9 119.2 -4.6 13.7 33.0 122 339 A T E - 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0 0 11 -7,-2.5 -1,-0.1 -2,-0.3 -7,-0.0 -0.330 34.2 -90.9 -68.2 158.1 0.0 1.7 34.5 176 395 A L >> - 0 0 84 1,-0.1 4,-2.4 4,-0.0 3,-0.6 -0.356 31.0-118.8 -66.3 153.8 2.1 1.5 37.8 177 396 A T H 3> S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.885 118.1 57.5 -62.2 -35.9 2.4 4.7 39.8 178 397 A K H 3> S+ 0 0 101 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.816 110.0 44.6 -61.6 -30.3 6.2 4.5 39.3 179 398 A E H <> S+ 0 0 59 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.857 109.8 54.6 -78.5 -41.8 5.5 4.4 35.5 180 399 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.908 105.0 53.8 -58.5 -42.7 3.0 7.3 35.7 181 400 A D H X S+ 0 0 20 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.876 108.8 50.2 -57.5 -43.1 5.6 9.5 37.5 182 401 A L H X S+ 0 0 13 -4,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.849 108.4 51.4 -65.9 -38.9 8.0 8.8 34.6 183 402 A V H X S+ 0 0 2 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.970 113.6 43.5 -61.0 -56.1 5.4 9.8 31.9 184 403 A T H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.912 113.5 51.7 -59.2 -43.1 4.6 13.1 33.6 185 404 A T H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.918 112.5 46.4 -56.0 -49.3 8.3 13.9 34.2 186 405 A H H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.899 114.8 46.2 -58.9 -48.4 9.1 13.2 30.5 187 406 A E H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 3,-0.3 0.945 115.0 45.6 -62.9 -47.2 6.1 15.3 29.2 188 407 A L H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.801 106.8 62.3 -64.6 -27.7 7.0 18.2 31.6 189 408 A G H <>S+ 0 0 0 -4,-1.7 5,-2.8 -5,-0.3 -1,-0.2 0.902 104.2 46.3 -63.6 -42.2 10.6 17.7 30.5 190 409 A H H ><5S+ 0 0 12 -4,-1.7 3,-1.7 -3,-0.3 -2,-0.2 0.930 111.2 52.9 -64.4 -43.4 9.6 18.6 26.9 191 410 A N H 3<5S+ 0 0 2 -4,-2.1 -46,-2.3 1,-0.3 -2,-0.2 0.880 106.2 52.5 -57.9 -41.1 7.6 21.6 28.4 192 411 A F T 3<5S- 0 0 0 -4,-2.4 -1,-0.3 -48,-0.2 51,-0.2 0.463 131.6 -96.7 -73.9 -3.1 10.8 22.7 30.2 193 412 A G T < 5S+ 0 0 20 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.429 74.8 142.1 105.6 3.5 12.6 22.5 26.8 194 413 A A < - 0 0 0 -5,-2.8 -1,-0.3 -6,-0.1 2,-0.2 -0.565 33.3-155.6 -78.8 142.1 14.3 19.1 26.7 195 414 A E - 0 0 87 -2,-0.3 -57,-0.1 1,-0.2 43,-0.1 -0.484 41.5 -69.6-100.0 174.0 14.4 17.0 23.5 196 415 A H - 0 0 73 -59,-0.3 21,-0.2 -2,-0.2 -1,-0.2 -0.373 51.0-108.9 -66.8 147.5 14.8 13.2 23.4 197 416 A D - 0 0 2 19,-2.1 2,-0.3 17,-0.1 -1,-0.1 -0.616 38.2-135.2 -72.6 130.5 18.1 11.7 24.5 198 417 A P > - 0 0 57 0, 0.0 3,-1.5 0, 0.0 6,-0.2 -0.659 10.5-132.3 -93.5 150.2 19.9 10.3 21.4 199 418 A D T 3 S+ 0 0 119 -2,-0.3 6,-0.2 1,-0.3 5,-0.0 0.836 102.7 70.9 -60.5 -34.2 21.6 6.8 21.1 200 419 A G T 3 S+ 0 0 75 1,-0.2 2,-0.5 4,-0.1 -1,-0.3 0.475 90.5 62.4 -63.0 -10.8 24.6 8.6 19.5 201 420 A L X> - 0 0 95 -3,-1.5 3,-1.4 1,-0.1 4,-1.1 -0.892 65.3-170.4-122.4 96.9 25.6 10.3 22.9 202 421 A A T 34 S+ 0 0 78 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.769 86.0 61.5 -55.8 -32.5 26.5 7.5 25.4 203 422 A E T 34 S+ 0 0 133 1,-0.2 30,-0.3 2,-0.1 -1,-0.3 0.839 112.5 39.0 -61.8 -35.0 26.6 10.1 28.2 204 423 A c T <4 S+ 0 0 0 -3,-1.4 10,-0.5 1,-0.2 -2,-0.2 0.600 126.8 32.7 -94.4 -14.4 22.9 10.8 27.5 205 424 A A S < S- 0 0 7 -4,-1.1 -1,-0.2 -6,-0.2 8,-0.2 -0.606 84.2-173.3-139.3 72.5 21.7 7.2 26.8 206 425 A P - 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0 0 29 -3,-1.9 4,-0.2 -21,-0.2 -18,-0.1 -0.374 64.0-126.3 -63.3 139.1 56.4 29.6 43.9 474 437 B P S S+ 0 0 53 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.723 97.5 65.4 -66.2 -23.1 55.0 29.7 40.2 475 438 B I S S- 0 0 127 1,-0.0 -2,-0.1 0, 0.0 0, 0.0 -0.893 110.2 -97.5 -98.8 125.2 52.5 26.9 40.9 476 439 B A - 0 0 59 -2,-0.5 2,-0.1 -93,-0.1 -4,-0.1 -0.247 38.9-128.6 -49.8 116.5 49.9 28.1 43.4 477 440 B V - 0 0 17 -6,-0.3 -1,-0.1 -4,-0.2 -39,-0.1 -0.493 8.3-143.1 -67.8 142.1 50.9 26.9 46.9 478 441 B S - 0 0 42 -2,-0.1 -1,-0.1 -40,-0.0 -40,-0.1 0.781 31.4-118.6 -76.5 -32.1 48.0 25.1 48.8 479 442 B G S S+ 0 0 18 2,-0.1 6,-0.1 -41,-0.1 -2,-0.1 0.356 85.7 114.3 99.7 0.9 48.8 26.4 52.3 480 443 B D + 0 0 109 4,-0.1 2,-0.3 3,-0.0 -12,-0.0 0.626 65.7 61.1 -73.5 -22.2 49.4 22.8 53.4 481 444 B H S > S- 0 0 83 -12,-0.1 3,-1.0 1,-0.1 4,-0.4 -0.843 86.3-116.7-113.7 154.8 53.1 23.2 54.1 482 445 B E G > S+ 0 0 72 -2,-0.3 3,-0.9 1,-0.2 -14,-0.2 0.821 111.4 49.7 -54.4 -44.2 55.1 25.5 56.5 483 446 B N G > S+ 0 0 11 -16,-3.0 3,-2.1 1,-0.2 -12,-0.6 0.680 88.2 84.9 -74.3 -17.3 56.9 27.5 53.9 484 447 B N G < S+ 0 0 4 -3,-1.0 -1,-0.2 -17,-0.5 -2,-0.2 0.784 91.4 48.1 -51.8 -33.3 53.8 28.3 51.9 485 448 B K G < S+ 0 0 81 -3,-0.9 2,-0.3 -4,-0.4 -1,-0.3 0.056 107.1 74.2 -96.3 19.0 53.0 31.3 54.2 486 449 B M S < S- 0 0 84 -3,-2.1 -15,-2.8 -17,-0.2 2,-0.3 -0.909 77.2-115.3-133.1 161.6 56.6 32.7 53.9 487 450 B F - 0 0 5 -2,-0.3 -2,-0.1 -17,-0.2 2,-0.0 -0.755 30.1-128.1 -96.6 142.6 58.8 34.6 51.5 488 451 B S > - 0 0 0 -2,-0.3 4,-2.3 -28,-0.1 -28,-0.1 -0.241 28.6-104.1 -76.5 174.2 61.9 32.9 50.1 489 452 B Q H > S+ 0 0 95 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.881 124.5 56.3 -63.9 -38.7 65.4 34.6 50.1 490 453 B f H > S+ 0 0 52 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.905 109.6 43.5 -58.5 -49.5 64.9 35.3 46.4 491 454 B S H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.895 111.6 55.6 -63.4 -40.4 61.6 37.2 47.1 492 455 B K H X S+ 0 0 34 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.935 106.1 51.3 -59.0 -45.9 63.3 39.0 50.1 493 456 B Q H X S+ 0 0 153 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.909 114.9 40.6 -57.2 -51.3 66.1 40.3 47.8 494 457 B S H X S+ 0 0 16 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.878 119.1 45.4 -66.7 -43.5 63.7 41.8 45.2 495 458 B I H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 -2,-0.2 0.886 108.7 56.1 -68.8 -41.0 61.2 43.2 47.8 496 459 B Y H X S+ 0 0 91 -4,-3.1 4,-2.8 -5,-0.3 -1,-0.2 0.885 108.1 49.2 -57.3 -41.0 64.1 44.7 50.0 497 460 B K H X S+ 0 0 49 -4,-1.5 4,-1.1 -5,-0.2 -1,-0.2 0.888 112.7 47.6 -68.0 -37.1 65.3 46.6 46.9 498 461 B T H X S+ 0 0 14 -4,-1.5 4,-2.3 -50,-0.3 5,-0.3 0.925 113.7 47.1 -66.3 -48.1 61.6 47.8 46.3 499 462 B I H X S+ 0 0 2 -4,-3.3 4,-2.2 1,-0.2 5,-0.3 0.944 110.3 52.1 -60.3 -48.1 61.2 48.8 50.0 500 463 B E H < S+ 0 0 75 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.757 121.9 33.1 -59.9 -27.2 64.7 50.6 50.1 501 464 B S H < S+ 0 0 94 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.628 128.3 32.2-105.1 -16.6 63.6 52.7 47.0 502 465 B K H X>S+ 0 0 11 -4,-2.3 4,-2.1 -3,-0.2 5,-0.6 0.559 94.4 79.5-119.4 -12.7 59.7 53.1 47.4 503 466 B A H X5S+ 0 0 10 -4,-2.2 4,-1.3 -5,-0.3 -3,-0.1 0.919 98.8 47.4 -62.6 -42.7 59.0 53.3 51.2 504 467 B Q H 45S+ 0 0 108 -5,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.854 112.0 54.4 -65.5 -32.9 60.1 57.0 51.2 505 468 B E H 45S- 0 0 127 -4,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.893 136.1 -17.1 -68.1 -49.5 57.9 57.6 48.1 506 469 B e H <5S+ 0 0 24 -4,-2.1 -243,-0.4 -247,-0.1 2,-0.2 0.486 97.0 110.5-142.8 -6.4 54.5 56.2 49.4 507 470 B F << - 0 0 9 -4,-1.3 -245,-0.2 -5,-0.6 2,-0.2 -0.568 46.5-171.0 -76.6 143.8 54.8 54.0 52.5 508 471 B Q B -I 261 0D 96 -247,-3.0 -247,-2.5 -2,-0.2 -248,-1.1 -0.625 28.6 -85.8-124.3-178.6 53.3 55.6 55.7 509 472 B E 0 0 62 -250,-0.2 -250,-0.1 -2,-0.2 -1,-0.1 -0.530 360.0 360.0 -83.0 157.8 53.1 55.1 59.4 510 473 B R 0 0 147 -252,-0.2 -1,-0.1 -2,-0.2 -251,-0.0 0.945 360.0 360.0 -62.7 360.0 50.2 52.8 60.6 511 !* 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 0.0 512 485 A X 0 0 155 0, 0.0 -379,-0.2 0, 0.0 -382,-0.1 0.000 360.0 360.0 360.0 360.0 6.7 8.5 25.0