==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, LYASE/DNA 19-OCT-05 2BCQ . COMPND 2 MOLECULE: 5'-D(P*GP*CP*CP*G)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.GARCIA-DIAZ,K.BEBENEK,J.M.KRAHN,L.C.PEDERSEN,T.A.KUNKEL . 324 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16816.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 9.9 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 12 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 1 1 0 2 2 2 1 0 1 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 4 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 1 252 A H 0 0 75 0, 0.0 35,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -29.5 31.7 7.8 28.4 2 253 A N >> + 0 0 2 39,-0.1 4,-2.5 36,-0.1 3,-1.6 -0.097 360.0 128.8-143.8 37.2 29.6 4.9 27.0 3 254 A L H 3> + 0 0 112 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.838 65.1 72.9 -63.4 -32.9 30.1 5.3 23.2 4 255 A H H 34 S+ 0 0 95 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.638 115.0 23.1 -58.3 -12.7 31.1 1.6 23.0 5 256 A I H <> S+ 0 0 0 -3,-1.6 4,-1.8 2,-0.1 3,-0.3 0.653 120.5 54.4-122.3 -34.7 27.4 0.9 23.6 6 257 A T H X S+ 0 0 2 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.894 100.2 63.3 -68.8 -39.4 25.5 4.0 22.5 7 258 A E H X S+ 0 0 40 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.830 108.4 43.1 -53.5 -33.5 27.2 3.8 19.1 8 259 A K H >> S+ 0 0 39 -5,-0.3 4,-1.2 -3,-0.3 3,-0.6 0.889 113.0 49.4 -80.5 -42.2 25.4 0.5 18.6 9 260 A L H 3X S+ 0 0 0 -4,-1.8 4,-3.2 1,-0.2 -2,-0.2 0.853 103.4 62.1 -65.1 -34.4 22.1 1.6 20.0 10 261 A E H 3X S+ 0 0 65 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.814 99.6 55.8 -61.4 -29.8 22.2 4.7 17.7 11 262 A V H S+ 0 0 32 -4,-2.8 5,-2.3 1,-0.2 4,-0.5 0.913 112.9 54.9 -63.5 -41.5 13.4 2.2 13.8 17 268 A S H ><5S+ 0 0 67 -4,-2.1 3,-1.4 -5,-0.3 -2,-0.2 0.940 109.4 43.3 -58.5 -52.5 13.1 5.9 13.0 18 269 A V H 3<5S+ 0 0 11 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.774 110.7 57.4 -67.7 -23.3 13.4 5.6 9.3 19 270 A Q T 3<5S- 0 0 72 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.525 120.2-108.9 -83.8 -4.2 11.1 2.6 9.3 20 271 A G T < 5S+ 0 0 34 -3,-1.4 2,-1.9 -4,-0.5 3,-0.2 0.493 78.2 132.0 93.4 3.1 8.4 4.7 11.0 21 272 A D >< + 0 0 52 -5,-2.3 4,-2.4 1,-0.2 5,-0.2 -0.510 28.0 166.2 -86.6 70.0 8.4 3.1 14.4 22 273 A K H > + 0 0 127 -2,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.800 65.1 49.2 -58.2 -38.7 8.6 6.5 16.0 23 274 A W H > S+ 0 0 167 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.931 113.3 45.3 -71.2 -44.9 7.8 5.6 19.6 24 275 A R H > S+ 0 0 121 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.923 113.7 51.6 -62.1 -42.5 10.3 2.8 19.9 25 276 A A H X S+ 0 0 11 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.891 107.6 52.7 -60.7 -39.0 12.8 5.1 18.2 26 277 A L H X S+ 0 0 32 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.911 106.7 53.0 -63.2 -42.0 12.0 7.8 20.8 27 278 A G H X S+ 0 0 36 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.912 111.4 45.2 -59.5 -44.5 12.6 5.3 23.6 28 279 A Y H X S+ 0 0 11 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.923 110.0 55.7 -64.8 -44.3 16.1 4.5 22.1 29 280 A A H X S+ 0 0 33 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.923 110.7 43.9 -53.6 -49.1 16.8 8.2 21.6 30 281 A K H X S+ 0 0 122 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.913 114.3 49.7 -64.1 -43.5 16.2 8.9 25.3 31 282 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.930 113.4 45.9 -60.8 -47.4 18.1 5.9 26.5 32 283 A I H X S+ 0 0 11 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.898 112.1 52.0 -62.2 -42.0 21.1 6.8 24.3 33 284 A N H X S+ 0 0 60 -4,-2.5 4,-3.3 -5,-0.3 -2,-0.2 0.916 110.3 48.3 -60.8 -44.5 20.9 10.4 25.4 34 285 A A H < S+ 0 0 20 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.940 108.2 53.6 -61.2 -48.9 20.9 9.2 29.0 35 286 A L H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.803 115.4 41.7 -56.7 -30.8 23.9 7.0 28.4 36 287 A K H < S+ 0 0 108 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.900 110.0 54.3 -82.9 -45.2 25.7 10.0 27.0 37 288 A S S < S+ 0 0 101 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.407 100.8 87.3 -69.3 4.7 24.5 12.5 29.6 38 289 A F - 0 0 59 -4,-0.4 -36,-0.1 -5,-0.2 -3,-0.1 -0.143 63.5-157.5 -90.8-169.5 26.0 10.0 32.1 39 290 A H + 0 0 136 1,-0.3 -1,-0.1 -38,-0.1 -4,-0.0 0.524 66.4 67.0-134.5 -63.5 29.5 9.8 33.4 40 291 A K S S- 0 0 75 1,-0.1 2,-0.4 -38,-0.0 -1,-0.3 -0.557 88.1-113.5 -73.3 120.5 30.6 6.4 34.8 41 292 A P - 0 0 60 0, 0.0 -39,-0.1 0, 0.0 -1,-0.1 -0.365 39.3-116.4 -56.7 108.6 30.7 3.7 32.1 42 293 A V + 0 0 3 -2,-0.4 3,-0.1 1,-0.1 6,-0.0 -0.178 42.8 168.6 -48.9 133.4 27.9 1.4 33.1 43 294 A T + 0 0 98 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.236 53.0 59.9-133.8 10.7 29.2 -2.1 34.0 44 295 A S > - 0 0 56 1,-0.2 4,-1.1 2,-0.0 -1,-0.1 -0.999 68.3-133.3-145.8 146.6 26.2 -3.8 35.7 45 296 A Y H >> S+ 0 0 99 -2,-0.3 4,-2.0 1,-0.2 3,-1.7 0.979 112.2 43.5 -57.0 -62.2 22.7 -4.8 34.8 46 297 A Q H 3> S+ 0 0 67 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.796 110.1 59.6 -55.4 -29.6 21.1 -3.4 38.0 47 298 A E H 34 S+ 0 0 46 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.774 106.4 47.3 -70.9 -25.9 23.3 -0.3 37.5 48 299 A A H X< S+ 0 0 0 -3,-1.7 3,-2.3 -4,-1.1 -2,-0.2 0.931 108.6 51.4 -79.2 -49.7 21.6 0.3 34.1 49 300 A C H 3< S+ 0 0 49 -4,-2.0 5,-0.2 1,-0.3 -2,-0.2 0.864 99.6 65.8 -54.7 -38.6 18.0 -0.1 35.3 50 301 A S T 3< S+ 0 0 91 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.521 87.7 91.7 -63.4 -3.7 18.7 2.4 38.0 51 302 A I S X S- 0 0 10 -3,-2.3 3,-1.9 3,-0.2 2,-0.3 -0.818 85.9-117.9 -98.7 130.6 19.2 4.9 35.3 52 303 A P T 3 S+ 0 0 111 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.496 102.4 29.4 -67.8 122.3 16.2 7.0 34.1 53 304 A G T 3 S+ 0 0 45 -2,-0.3 2,-0.5 1,-0.2 -22,-0.1 0.274 102.7 94.3 110.8 -7.6 15.5 6.2 30.4 54 305 A I < + 0 0 10 -3,-1.9 -1,-0.2 -5,-0.2 -3,-0.2 -0.970 50.3 178.2-122.3 120.8 16.8 2.6 30.7 55 306 A G > - 0 0 40 -2,-0.5 4,-2.4 -3,-0.1 5,-0.1 -0.292 49.5 -82.9-104.9-167.5 14.5 -0.3 31.3 56 307 A K H > S+ 0 0 49 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.915 127.4 53.0 -64.2 -43.8 15.1 -4.1 31.6 57 308 A R H > S+ 0 0 156 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.928 114.1 40.9 -56.9 -49.6 14.9 -4.5 27.8 58 309 A M H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.881 112.7 56.1 -67.8 -38.7 17.6 -1.8 27.2 59 310 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.920 104.8 51.8 -59.4 -45.6 19.6 -3.1 30.1 60 311 A E H X S+ 0 0 109 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.868 110.0 50.6 -58.7 -38.0 19.8 -6.6 28.6 61 312 A K H X S+ 0 0 27 -4,-1.3 4,-1.0 2,-0.2 -1,-0.2 0.892 109.0 49.9 -67.5 -42.4 21.0 -5.0 25.4 62 313 A I H >X S+ 0 0 2 -4,-2.3 4,-0.8 1,-0.2 3,-0.6 0.912 108.4 54.3 -62.8 -43.0 23.7 -3.0 27.1 63 314 A I H >X S+ 0 0 31 -4,-2.4 4,-2.3 1,-0.3 3,-1.3 0.914 104.1 53.4 -57.3 -47.1 24.9 -6.2 28.9 64 315 A E H 3X S+ 0 0 31 -4,-1.8 4,-1.9 1,-0.3 6,-1.1 0.777 105.6 56.1 -60.3 -26.3 25.3 -8.1 25.7 65 316 A I H << S+ 0 0 7 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.696 113.1 39.8 -79.4 -19.9 27.5 -5.3 24.4 66 317 A L H << S+ 0 0 66 -3,-1.3 -2,-0.2 -4,-0.8 -1,-0.2 0.692 122.3 39.9 -99.7 -24.4 29.8 -5.6 27.4 67 318 A E H < S+ 0 0 156 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.799 136.9 17.1 -92.2 -35.1 29.9 -9.4 27.6 68 319 A S S < S- 0 0 84 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.1 0.504 91.7-133.0-113.0 -11.7 30.0 -10.1 23.8 69 320 A G S S+ 0 0 47 -5,-0.4 2,-0.3 -6,-0.3 -4,-0.2 0.833 80.8 73.0 60.2 30.9 31.1 -6.7 22.6 70 321 A H S S- 0 0 69 -6,-1.1 2,-0.5 -62,-0.0 -2,-0.3 -0.978 73.2-132.6-166.6 159.9 28.3 -6.9 20.1 71 322 A L > - 0 0 2 -2,-0.3 3,-2.4 1,-0.1 4,-0.3 -0.910 9.5-157.1-126.6 102.0 24.5 -6.8 19.6 72 323 A R G > S+ 0 0 156 -2,-0.5 3,-1.8 1,-0.3 4,-0.2 0.744 90.0 73.1 -47.3 -27.7 23.1 -9.7 17.5 73 324 A K G > S+ 0 0 80 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.863 85.2 64.5 -57.2 -37.4 20.1 -7.4 16.8 74 325 A L G X S+ 0 0 40 -3,-2.4 3,-0.6 1,-0.3 -1,-0.3 0.675 93.9 62.0 -61.4 -17.9 22.3 -5.3 14.5 75 326 A D G < S+ 0 0 102 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.479 100.9 52.6 -88.1 -2.4 22.7 -8.3 12.2 76 327 A H G < S+ 0 0 157 -3,-2.1 2,-0.4 -4,-0.2 -1,-0.2 0.138 73.2 129.1-118.8 19.7 19.0 -8.5 11.5 77 328 A I < - 0 0 47 -3,-0.6 -3,-0.0 1,-0.1 -65,-0.0 -0.625 69.8-102.1 -77.3 128.1 18.4 -4.9 10.4 78 329 A S > - 0 0 51 -2,-0.4 3,-1.4 1,-0.2 -1,-0.1 -0.149 18.7-129.7 -50.8 141.0 16.5 -4.8 7.1 79 330 A E T 3 S+ 0 0 166 1,-0.3 4,-0.5 2,-0.1 -1,-0.2 0.635 105.5 71.0 -67.1 -13.7 18.7 -4.0 4.1 80 331 A S T 3> S+ 0 0 13 1,-0.2 4,-2.7 2,-0.1 3,-0.4 0.745 76.8 82.3 -75.0 -23.2 16.1 -1.4 3.2 81 332 A V H <> S+ 0 0 5 -3,-1.4 4,-2.6 1,-0.2 5,-0.2 0.887 86.4 51.0 -50.5 -52.5 17.2 0.8 6.1 82 333 A P H > S+ 0 0 82 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.893 114.7 45.7 -56.1 -38.0 20.2 2.5 4.4 83 334 A V H > S+ 0 0 23 -4,-0.5 4,-2.7 -3,-0.4 -2,-0.2 0.895 109.8 52.9 -71.4 -40.8 17.9 3.4 1.5 84 335 A L H X S+ 0 0 8 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.883 111.2 48.1 -62.2 -36.1 15.1 4.6 3.7 85 336 A E H X S+ 0 0 62 -4,-2.6 4,-1.0 -5,-0.2 -2,-0.2 0.931 109.7 52.3 -68.1 -45.1 17.6 6.9 5.4 86 337 A L H < S+ 0 0 54 -4,-2.2 3,-0.5 -5,-0.2 -2,-0.2 0.936 115.6 41.4 -55.1 -47.5 18.9 8.1 2.0 87 338 A F H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.888 110.6 53.9 -69.9 -43.2 15.4 9.0 0.9 88 339 A S H 3< S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.609 94.9 71.2 -71.5 -8.8 14.1 10.5 4.2 89 340 A N T 3< S+ 0 0 64 -4,-1.0 2,-0.5 -3,-0.5 -1,-0.3 0.423 74.3 100.0 -84.9 2.8 17.1 12.8 4.2 90 341 A I S X S- 0 0 2 -3,-1.7 3,-2.2 3,-0.2 2,-0.2 -0.796 89.5-112.7 -84.6 126.3 15.4 14.6 1.3 91 342 A W T 3 S+ 0 0 67 -2,-0.5 34,-0.4 1,-0.3 35,-0.2 -0.434 103.7 25.3 -62.4 125.7 13.8 17.7 2.8 92 343 A G T 3 S+ 0 0 34 1,-0.3 2,-0.5 -2,-0.2 -1,-0.3 0.297 102.7 96.8 102.8 -9.5 10.0 17.3 2.4 93 344 A A < + 0 0 8 -3,-2.2 -1,-0.3 -5,-0.2 -3,-0.2 -0.966 49.3 173.9-115.9 126.8 10.1 13.5 2.3 94 345 A G > - 0 0 37 -2,-0.5 4,-2.6 -3,-0.1 5,-0.2 -0.344 52.7 -66.9-114.3-162.3 9.5 11.5 5.5 95 346 A T H > S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.839 128.9 53.7 -62.5 -33.7 9.2 7.9 6.4 96 347 A K H > S+ 0 0 167 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.936 113.5 41.7 -66.5 -44.3 5.9 7.4 4.6 97 348 A T H > S+ 0 0 35 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.921 114.8 51.5 -67.8 -42.6 7.3 8.8 1.3 98 349 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.921 111.2 47.6 -59.9 -44.3 10.6 6.9 1.8 99 350 A Q H X S+ 0 0 74 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.881 111.8 50.6 -65.7 -37.7 8.7 3.6 2.3 100 351 A M H X S+ 0 0 91 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.950 110.5 48.3 -65.0 -48.5 6.5 4.2 -0.7 101 352 A W H <>S+ 0 0 2 -4,-2.8 5,-2.2 1,-0.2 -2,-0.2 0.886 111.8 50.1 -59.5 -39.5 9.5 4.9 -3.0 102 353 A Y H ><5S+ 0 0 44 -4,-2.2 3,-1.6 -5,-0.2 -1,-0.2 0.911 109.0 51.2 -65.9 -41.1 11.2 1.8 -1.7 103 354 A Q H 3<5S+ 0 0 152 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.878 104.9 58.3 -62.4 -35.2 8.1 -0.3 -2.3 104 355 A Q T 3<5S- 0 0 96 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.453 126.0-101.8 -75.6 -0.1 8.0 1.1 -5.9 105 356 A G T < 5S+ 0 0 41 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.393 72.3 145.0 97.4 -2.3 11.5 -0.2 -6.5 106 357 A F < + 0 0 17 -5,-2.2 -1,-0.3 -6,-0.2 3,-0.1 -0.473 12.2 162.9 -72.8 139.5 13.6 3.0 -6.0 107 358 A R + 0 0 106 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.492 55.8 34.1-133.3 -12.5 17.0 2.5 -4.5 108 359 A S S > S- 0 0 41 1,-0.1 4,-1.8 -22,-0.0 3,-0.3 -0.919 80.0-106.2-142.3 168.1 19.1 5.6 -5.2 109 360 A L H > S+ 0 0 39 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.775 120.2 61.3 -67.6 -22.9 18.8 9.3 -5.6 110 361 A E H > S+ 0 0 100 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.902 103.5 49.8 -67.2 -38.9 19.3 8.7 -9.3 111 362 A D H >>S+ 0 0 38 -3,-0.3 4,-2.5 2,-0.2 5,-0.9 0.906 112.6 47.5 -64.1 -41.1 16.1 6.6 -9.2 112 363 A I H X5S+ 0 0 0 -4,-1.8 4,-1.3 3,-0.2 -2,-0.2 0.960 112.4 48.2 -65.0 -50.3 14.3 9.5 -7.4 113 364 A R H <5S+ 0 0 149 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.905 122.4 33.3 -56.1 -46.3 15.5 12.2 -9.8 114 365 A S H <5S+ 0 0 58 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.757 135.0 15.6 -86.3 -26.9 14.6 10.2 -12.9 115 366 A Q H <5S+ 0 0 123 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.661 95.4 95.6-123.2 -22.9 11.5 8.3 -11.9 116 367 A A << - 0 0 17 -4,-1.3 2,-0.7 -5,-0.9 -15,-0.0 -0.418 69.0-124.5 -78.1 149.0 9.9 9.6 -8.7 117 368 A S - 0 0 112 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225B 12 -62,-0.5 -60,-2.3 -2,-0.3 2,-0.4 -0.675 33.5-169.0 -84.4 133.6 18.5 26.6 5.4 238 489 A L E -cE 177 224B 0 -14,-2.4 -14,-2.9 -2,-0.4 2,-0.5 -0.992 7.2-171.9-128.5 129.0 16.9 29.7 6.9 239 490 A D E -cE 178 223B 12 -62,-3.0 -60,-3.0 -2,-0.4 2,-0.4 -0.985 6.8-175.8-122.5 125.6 13.8 29.7 9.2 240 491 A I E -cE 179 222B 0 -18,-2.9 -18,-2.4 -2,-0.5 2,-0.4 -0.969 5.1-174.3-123.8 136.5 12.1 32.9 10.2 241 492 A I E -cE 180 221B 17 -62,-2.4 -60,-2.6 -2,-0.4 2,-0.5 -0.994 9.2-158.1-129.5 138.0 9.2 33.4 12.6 242 493 A V E +c 181 0B 12 -22,-1.9 -60,-0.2 -2,-0.4 -62,-0.1 -0.975 21.5 175.9-114.9 124.3 7.4 36.7 13.3 243 494 A V - 0 0 12 -62,-2.5 -60,-0.4 -2,-0.5 2,-0.1 -0.929 34.0-104.0-132.6 154.2 5.6 36.9 16.6 244 495 A P > - 0 0 35 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.471 39.1-113.5 -72.8 146.9 3.6 39.5 18.6 245 496 A Y G > S+ 0 0 102 -62,-0.5 3,-1.7 1,-0.3 4,-0.4 0.812 112.7 65.2 -50.5 -36.8 5.5 41.0 21.5 246 497 A S G 3 S+ 0 0 97 1,-0.3 56,-0.3 2,-0.1 -1,-0.3 0.741 107.7 41.8 -60.6 -22.6 3.2 39.4 24.1 247 498 A E G <> S+ 0 0 45 -3,-2.2 4,-2.8 1,-0.1 5,-0.3 0.315 82.6 109.9-106.1 7.0 4.4 36.0 23.0 248 499 A F H <> S+ 0 0 32 -3,-1.7 4,-2.8 -4,-0.3 5,-0.2 0.891 77.4 47.9 -49.4 -51.3 8.1 37.0 22.7 249 500 A A H > S+ 0 0 3 53,-0.5 4,-2.6 -4,-0.4 -1,-0.2 0.930 115.7 42.7 -59.4 -49.6 9.3 34.9 25.7 250 501 A C H > S+ 0 0 2 52,-0.3 4,-2.3 29,-0.2 -1,-0.2 0.864 115.8 49.5 -67.1 -34.8 7.5 31.7 24.7 251 502 A A H X S+ 0 0 1 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.910 113.0 47.5 -69.1 -41.0 8.5 32.1 21.1 252 503 A L H X S+ 0 0 18 -4,-2.8 4,-1.5 -5,-0.3 -2,-0.2 0.908 112.1 49.0 -65.6 -43.4 12.1 32.7 22.1 253 504 A L H X S+ 0 0 4 -4,-2.6 4,-1.5 -5,-0.2 3,-0.3 0.952 114.9 46.1 -61.1 -49.1 12.2 29.7 24.4 254 505 A Y H < S+ 0 0 64 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.950 114.3 45.1 -57.4 -54.7 10.7 27.6 21.7 255 506 A F H < S+ 0 0 19 -4,-2.9 -90,-2.2 1,-0.2 -1,-0.2 0.670 110.2 55.8 -68.0 -18.8 13.0 28.7 18.9 256 507 A T H < S+ 0 0 0 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.800 93.2 127.5 -83.2 -30.5 16.1 28.4 21.1 257 508 A G < - 0 0 5 -4,-1.5 2,-0.2 -3,-0.5 -1,-0.1 -0.210 69.1-138.1 62.5-150.7 15.4 24.8 22.0 258 509 A S > - 0 0 7 65,-0.1 4,-2.7 -4,-0.1 -1,-0.2 0.558 35.0-130.2 -67.6 175.8 16.8 22.3 21.9 259 510 A A H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.942 109.1 46.2 -60.5 -47.5 13.9 20.2 20.6 260 511 A H H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.876 111.0 53.4 -65.6 -33.7 14.3 17.6 23.3 261 512 A F H > S+ 0 0 6 61,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.937 109.2 49.3 -64.0 -45.2 14.6 20.3 25.9 262 513 A N H X S+ 0 0 17 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.920 110.8 49.2 -59.3 -45.3 11.3 21.8 24.7 263 514 A R H X S+ 0 0 128 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.897 111.9 48.9 -62.6 -40.0 9.5 18.5 24.8 264 515 A S H X S+ 0 0 55 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.903 112.8 47.5 -65.2 -43.0 10.8 17.8 28.3 265 516 A M H X S+ 0 0 8 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.879 113.5 46.9 -67.1 -39.2 9.7 21.2 29.5 266 517 A R H X S+ 0 0 73 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.869 110.3 53.6 -71.0 -35.7 6.2 20.9 27.9 267 518 A A H 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0 38 3,-1.8 -23,-0.1 -2,-0.4 -2,-0.0 -0.867 63.0 -88.6-144.7 178.1 3.8 26.2 23.5 278 529 A E S S+ 0 0 59 -2,-0.3 -23,-0.1 1,-0.2 3,-0.1 0.625 126.8 49.7 -67.0 -12.4 5.6 28.7 21.3 279 530 A H S S- 0 0 74 1,-0.3 2,-0.3 -29,-0.1 -29,-0.2 0.829 121.5 -32.0 -93.7 -40.1 2.5 30.9 21.8 280 531 A A - 0 0 16 -30,-0.1 -3,-1.8 -31,-0.1 2,-0.5 -0.997 43.3-111.5-172.8 166.8 2.1 30.8 25.6 281 532 A L E -F 276 0C 0 19,-0.4 19,-3.1 -2,-0.3 2,-0.3 -0.964 41.7-169.8-109.6 123.4 2.2 29.2 29.0 282 533 A S E -FG 275 299C 9 -7,-2.9 -7,-2.0 -2,-0.5 2,-0.3 -0.870 10.0-154.9-119.4 152.5 -1.2 28.5 30.3 283 534 A T E S+ G 0 298C 34 15,-2.8 15,-2.9 -2,-0.3 -9,-0.2 -0.802 72.0 30.9-119.9 162.3 -2.5 27.4 33.7 284 535 A A S S+ 0 0 50 -12,-0.3 2,-0.3 -2,-0.3 -10,-0.2 0.880 78.0 177.3 58.8 40.6 -5.7 25.5 34.7 285 536 A V - 0 0 15 -12,-2.4 2,-0.5 -3,-0.2 -1,-0.2 -0.572 24.0-135.3 -78.8 137.2 -5.8 23.7 31.4 286 537 A V E +H 295 0D 85 9,-1.3 8,-3.4 -2,-0.3 9,-2.8 -0.826 27.9 178.9 -96.6 126.4 -8.6 21.1 31.0 287 538 A R E -H 293 0D 62 -2,-0.5 6,-0.2 6,-0.3 2,-0.0 -0.918 22.2-125.9-128.0 153.4 -7.6 17.7 29.5 288 539 A N > - 0 0 74 4,-1.9 3,-2.0 -2,-0.3 -1,-0.0 -0.155 47.4 -83.9 -83.3-176.1 -9.4 14.5 28.7 289 540 A T T 3 S+ 0 0 144 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.645 130.5 57.4 -65.4 -13.8 -8.4 11.0 29.8 290 541 A H T 3 S- 0 0 165 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.234 117.9-110.5-101.0 12.1 -6.0 10.9 26.9 291 542 A G S < S+ 0 0 21 -3,-2.0 2,-0.3 1,-0.2 -2,-0.1 0.580 70.1 143.9 72.0 9.9 -4.1 14.0 28.0 292 543 A C - 0 0 45 1,-0.1 -4,-1.9 2,-0.0 2,-0.5 -0.629 59.1-106.0 -84.4 139.9 -5.5 16.1 25.1 293 544 A K E +H 287 0D 110 -2,-0.3 -6,-0.3 -6,-0.2 -1,-0.1 -0.504 49.8 156.7 -68.6 117.5 -6.2 19.8 25.7 294 545 A V E + 0 0 74 -8,-3.4 -7,-0.2 -2,-0.5 -1,-0.2 0.719 66.8 45.2-107.0 -38.9 -10.0 20.2 25.9 295 546 A G E S-H 286 0D 11 -9,-2.8 -9,-1.3 1,-0.1 -1,-0.3 -0.918 71.4-145.4-110.9 135.0 -10.1 23.4 27.9 296 547 A P - 0 0 97 0, 0.0 -11,-0.1 0, 0.0 2,-0.1 0.792 28.8-167.8 -67.0 -31.5 -7.8 26.4 27.2 297 548 A G - 0 0 33 -13,-0.1 2,-0.4 -15,-0.1 -13,-0.2 -0.452 41.8 -43.6 74.1-151.2 -7.3 27.5 30.8 298 549 A R E -G 283 0C 157 -15,-2.9 -15,-2.8 -2,-0.1 2,-0.3 -0.969 49.9-125.2-123.4 131.7 -5.7 30.9 31.4 299 550 A V E -G 282 0C 104 -2,-0.4 -17,-0.3 -17,-0.2 -2,-0.1 -0.567 30.2-137.2 -73.0 127.8 -2.7 32.3 29.6 300 551 A L - 0 0 33 -19,-3.1 2,-0.5 -2,-0.3 -19,-0.4 -0.613 21.2-104.5 -88.3 145.5 -0.1 33.4 32.1 301 552 A P + 0 0 103 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.556 44.8 170.9 -69.2 117.0 1.9 36.7 31.8 302 553 A T + 0 0 11 -2,-0.5 -53,-0.5 -56,-0.3 -52,-0.3 -0.605 11.4 161.6-131.1 74.9 5.4 35.7 30.6 303 554 A P S S+ 0 0 94 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.766 71.4 24.3 -63.7 -26.1 7.3 38.8 29.7 304 555 A T S > S- 0 0 64 -3,-0.1 4,-1.2 1,-0.1 3,-0.5 -0.920 80.4-111.6-138.0 163.6 10.7 37.0 29.9 305 556 A E H > S+ 0 0 13 -2,-0.3 4,-1.8 1,-0.2 3,-0.3 0.875 116.6 61.5 -59.8 -38.4 12.1 33.5 29.6 306 557 A K H > S+ 0 0 117 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.879 98.6 57.3 -56.3 -38.1 12.9 33.6 33.4 307 558 A D H > S+ 0 0 29 -3,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.894 103.0 53.1 -61.3 -40.2 9.1 34.0 34.0 308 559 A V H X S+ 0 0 0 -4,-1.2 4,-1.0 -3,-0.3 -1,-0.2 0.945 112.6 43.5 -61.3 -47.4 8.4 30.7 32.2 309 560 A F H ><>S+ 0 0 1 -4,-1.8 5,-2.7 1,-0.2 3,-0.8 0.953 114.3 51.3 -61.4 -48.6 10.9 28.8 34.3 310 561 A R H ><5S+ 0 0 147 -4,-3.0 3,-1.6 1,-0.3 -2,-0.2 0.897 108.2 50.2 -55.0 -47.4 9.7 30.5 37.5 311 562 A L H 3<5S+ 0 0 48 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.721 110.6 51.9 -66.4 -20.4 6.0 29.7 36.8 312 563 A L T <<5S- 0 0 0 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.361 116.2-115.0 -95.7 3.6 7.0 26.1 36.2 313 564 A G T < 5S+ 0 0 60 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.831 73.4 134.3 66.5 31.7 8.9 25.9 39.5 314 565 A L < - 0 0 53 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.900 62.2-112.7-117.8 143.2 12.1 25.4 37.6 315 566 A P - 0 0 108 0, 0.0 -9,-0.0 0, 0.0 -5,-0.0 -0.498 47.2-101.2 -69.7 138.4 15.5 27.1 38.1 316 567 A Y - 0 0 62 -2,-0.2 2,-0.4 1,-0.0 -10,-0.1 -0.306 37.5-155.5 -62.0 142.9 16.3 29.3 35.1 317 568 A R - 0 0 83 -3,-0.1 -8,-0.1 5,-0.0 5,-0.0 -0.983 14.1-125.4-126.4 131.0 18.8 27.9 32.6 318 569 A E > - 0 0 113 -2,-0.4 3,-2.1 1,-0.1 -149,-0.0 -0.312 36.7-105.1 -64.7 155.3 21.0 29.8 30.2 319 570 A P G > S+ 0 0 14 0, 0.0 3,-2.1 0, 0.0 -150,-0.2 0.882 122.5 60.3 -50.8 -40.8 20.5 28.8 26.5 320 571 A A G > S+ 0 0 53 1,-0.3 3,-0.6 -152,-0.2 -151,-0.1 0.732 101.0 56.0 -60.8 -21.2 23.8 26.9 26.7 321 572 A E G < S+ 0 0 111 -3,-2.1 -1,-0.3 1,-0.2 -3,-0.1 0.160 95.7 65.3 -97.4 18.5 22.3 24.7 29.4 322 573 A R G < + 0 0 0 -3,-2.1 2,-2.1 -153,-0.1 -61,-0.3 0.116 63.2 121.5-121.0 15.0 19.3 23.7 27.3 323 574 A D < 0 0 60 -3,-0.6 -65,-0.1 1,-0.2 -3,-0.1 -0.397 360.0 360.0 -80.7 63.3 21.5 21.8 24.8 324 575 A W 0 0 120 -2,-2.1 -1,-0.2 -287,-0.0 -287,-0.1 0.914 360.0 360.0 -88.8 360.0 19.7 18.5 25.3