==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE/GROWTH FACTOR RECEPTOR 08-OCT-04 1XP9 . COMPND 2 MOLECULE: ESTROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.M.D.FITZGERALD,N.SHARMA . 245 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13209.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.4 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 . 1 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 . 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 . 6 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 57.6 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+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 0 0 0 0 1 0 1 0 0 1 0 0 0 1 0 0 0 1 0 1 0 0 0 1 1 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 307 A A 0 0 18 0, 0.0 8,-0.1 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 -11.2 9.7 12.4 10.1 2 308 A L + 0 0 76 1,-0.1 170,-0.0 173,-0.0 58,-0.0 0.590 360.0 16.6-100.0 -14.5 9.0 15.5 8.0 3 309 A S S S+ 0 0 121 2,-0.1 -1,-0.1 0, 0.0 2,-0.1 0.358 100.5 112.9-131.2 -3.8 5.2 15.3 7.7 4 310 A L S S- 0 0 51 1,-0.1 5,-0.0 4,-0.1 2,-0.0 -0.365 72.3-118.8 -56.2 139.2 4.9 12.9 10.7 5 311 A T > - 0 0 64 1,-0.1 4,-1.5 -2,-0.1 5,-0.1 -0.292 22.0-107.5 -74.6 177.1 3.1 14.6 13.6 6 312 A A H > S+ 0 0 16 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.842 124.5 51.0 -66.7 -37.2 4.8 15.1 16.9 7 313 A D H > S+ 0 0 97 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.784 110.7 49.2 -69.5 -30.5 2.5 12.4 18.3 8 314 A Q H > S+ 0 0 101 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.742 108.1 52.2 -80.5 -32.7 3.5 10.0 15.5 9 315 A M H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.966 110.9 49.0 -67.9 -43.7 7.2 10.6 15.9 10 316 A V H X S+ 0 0 14 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.896 114.2 44.0 -62.4 -44.3 6.9 9.7 19.6 11 317 A S H X S+ 0 0 59 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.932 111.7 53.7 -67.3 -41.4 4.9 6.6 18.9 12 318 A A H X S+ 0 0 27 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.909 112.2 45.4 -58.1 -39.1 7.3 5.6 16.1 13 319 A L H X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.865 110.7 51.9 -73.8 -35.5 10.3 5.9 18.4 14 320 A L H >< S+ 0 0 71 -4,-2.0 3,-0.7 -5,-0.2 -1,-0.2 0.891 110.0 50.8 -65.9 -34.9 8.6 4.1 21.3 15 321 A D H 3< S+ 0 0 102 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.765 106.1 56.1 -70.3 -31.5 7.8 1.2 18.9 16 322 A A H 3< S+ 0 0 5 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.550 75.1 130.9 -81.9 -11.2 11.3 1.0 17.7 17 323 A E << - 0 0 66 -3,-0.7 -3,-0.0 -4,-0.6 34,-0.0 -0.109 56.3-124.4 -52.4 136.6 13.0 0.4 21.1 18 324 A P - 0 0 44 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.272 30.4 -95.8 -75.8 165.9 15.4 -2.5 21.2 19 325 A P - 0 0 68 0, 0.0 2,-0.6 0, 0.0 31,-0.1 -0.476 32.8-109.8 -79.0 156.2 15.1 -5.3 23.7 20 326 A I - 0 0 118 -2,-0.1 2,-0.2 79,-0.0 79,-0.1 -0.769 41.9-153.7 -80.8 118.8 16.9 -5.5 27.0 21 327 A L - 0 0 30 -2,-0.6 2,-0.3 77,-0.2 22,-0.0 -0.552 5.2-124.1 -94.7 160.4 19.5 -8.3 26.6 22 328 A Y - 0 0 133 -2,-0.2 2,-0.1 77,-0.2 -1,-0.0 -0.758 24.3-107.2-101.1 153.0 21.1 -10.5 29.3 23 329 A S - 0 0 6 -2,-0.3 2,-0.8 1,-0.1 17,-0.1 -0.475 33.8-128.9 -68.2 147.0 24.7 -11.0 30.1 24 330 A E + 0 0 143 15,-0.2 2,-0.3 -2,-0.1 18,-0.1 -0.839 59.6 113.0-108.6 93.2 25.8 -14.5 29.0 25 331 A Y S S- 0 0 72 -2,-0.8 -2,-0.0 9,-0.0 9,-0.0 -0.957 73.7 -96.0-151.7 151.9 27.5 -16.3 31.8 26 332 A D > - 0 0 93 -2,-0.3 3,-1.3 1,-0.2 -2,-0.1 -0.638 29.2-160.2 -74.1 117.4 26.6 -19.4 33.8 27 333 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 4,-0.0 0.338 87.9 66.3 -81.3 1.1 24.9 -18.1 36.9 28 334 A T T 3 S+ 0 0 123 2,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.433 95.0 76.5 -94.8 -1.5 25.6 -21.3 38.7 29 335 A R S < S- 0 0 42 -3,-1.3 -4,-0.0 1,-0.1 0, 0.0 -0.754 88.7 -91.6-115.2 155.3 29.4 -20.6 38.5 30 336 A P - 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.039 23.5-135.8 -63.3 172.4 31.7 -18.3 40.5 31 337 A F S > S+ 0 0 83 2,-0.1 3,-2.4 1,-0.1 5,-0.0 0.753 92.3 68.6-104.7 -32.3 32.6 -14.8 39.6 32 338 A S T 3 S+ 0 0 125 1,-0.3 -1,-0.1 3,-0.0 0, 0.0 0.775 97.7 61.7 -62.1 -23.1 36.3 -14.4 40.0 33 339 A E T 3 S+ 0 0 155 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.315 88.0 95.9 -76.0 -7.4 36.6 -16.7 37.1 34 340 A A S < S- 0 0 35 -3,-2.4 2,-0.8 -9,-0.0 3,-0.1 -0.727 73.5-134.0 -96.9 139.9 34.8 -14.3 34.8 35 341 A S > - 0 0 76 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 -0.835 14.9-159.0 -83.6 113.0 36.5 -11.8 32.5 36 342 A M H > S+ 0 0 20 -2,-0.8 4,-2.4 1,-0.2 5,-0.3 0.912 93.2 48.5 -60.5 -38.0 34.5 -8.7 33.2 37 343 A M H > S+ 0 0 30 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.897 109.2 52.4 -71.9 -32.4 35.7 -7.2 29.9 38 344 A G H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.932 111.0 47.8 -59.7 -50.0 34.7 -10.4 28.1 39 345 A L H X S+ 0 0 15 -4,-2.6 4,-2.0 2,-0.2 -15,-0.2 0.931 116.3 43.1 -55.5 -48.5 31.2 -10.2 29.6 40 346 A L H X S+ 0 0 20 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.914 114.9 49.3 -68.2 -42.3 30.8 -6.5 28.7 41 347 A T H X S+ 0 0 26 -4,-3.1 4,-2.2 -5,-0.3 5,-0.2 0.918 110.8 49.5 -63.8 -40.5 32.2 -6.9 25.2 42 348 A N H X S+ 0 0 96 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.922 112.6 48.3 -65.7 -42.2 30.0 -9.9 24.5 43 349 A L H X S+ 0 0 4 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.952 112.1 48.4 -57.2 -53.8 26.9 -7.9 25.7 44 350 A A H X S+ 0 0 25 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.858 109.3 52.5 -59.8 -37.3 27.8 -4.8 23.7 45 351 A D H X S+ 0 0 59 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.871 109.5 49.8 -68.3 -33.3 28.4 -6.8 20.5 46 352 A R H X S+ 0 0 68 -4,-1.6 4,-0.9 -5,-0.2 3,-0.3 0.882 108.5 52.7 -73.5 -33.2 25.0 -8.4 20.8 47 353 A E H X S+ 0 0 40 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.826 97.9 66.6 -66.1 -34.2 23.3 -5.0 21.4 48 354 A L H X S+ 0 0 11 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.870 95.7 54.9 -59.6 -36.5 24.9 -3.7 18.2 49 355 A V H X S+ 0 0 74 -4,-0.9 4,-1.3 -3,-0.3 3,-0.3 0.970 111.8 44.3 -61.5 -46.2 22.8 -6.1 16.0 50 356 A H H X S+ 0 0 64 -4,-0.9 4,-2.2 1,-0.2 -2,-0.2 0.805 105.4 62.4 -69.0 -27.9 19.7 -4.8 17.6 51 357 A M H X S+ 0 0 9 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.907 101.1 52.9 -64.9 -35.0 20.9 -1.2 17.3 52 358 A I H X S+ 0 0 4 -4,-1.7 4,-1.7 -3,-0.3 -1,-0.2 0.914 109.2 48.6 -64.3 -40.4 20.9 -1.6 13.5 53 359 A N H X S+ 0 0 84 -4,-1.3 4,-0.6 2,-0.2 -1,-0.2 0.912 112.8 48.6 -62.3 -45.1 17.3 -2.8 13.5 54 360 A W H >X S+ 0 0 5 -4,-2.2 3,-1.8 1,-0.2 4,-0.7 0.947 107.8 53.5 -62.6 -47.2 16.3 0.2 15.8 55 361 A A H >< S+ 0 0 0 -4,-3.0 3,-1.3 1,-0.3 6,-0.2 0.889 102.6 58.1 -60.0 -36.7 18.1 2.7 13.6 56 362 A K H 3< S+ 0 0 79 -4,-1.7 6,-0.3 1,-0.3 -1,-0.3 0.737 105.2 52.1 -66.4 -18.1 16.2 1.5 10.5 57 363 A R H << S+ 0 0 139 -3,-1.8 -1,-0.3 -4,-0.6 -2,-0.2 0.522 81.5 106.0 -96.9 -3.3 13.0 2.3 12.4 58 364 A V S XX S- 0 0 2 -3,-1.3 3,-1.9 -4,-0.7 4,-0.5 -0.624 87.9-103.5 -70.1 124.6 14.0 5.9 13.3 59 365 A P T 34 S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.233 103.2 11.9 -49.8 125.3 11.9 8.2 10.9 60 366 A G T >4 S+ 0 0 6 -4,-0.1 3,-0.9 4,-0.0 4,-0.4 0.085 98.9 101.5 96.9 -27.8 14.1 9.5 8.1 61 367 A F G X4 S+ 0 0 0 -3,-1.9 3,-1.7 1,-0.3 -5,-0.1 0.942 80.8 46.2 -62.5 -48.9 17.1 7.2 8.7 62 368 A V G 3< S+ 0 0 73 -4,-0.5 -1,-0.3 -6,-0.3 -6,-0.1 0.573 98.3 72.0 -75.1 -4.2 16.6 4.7 5.9 63 369 A D G < S+ 0 0 114 -3,-0.9 -1,-0.3 2,-0.1 -2,-0.2 0.601 86.2 88.1 -81.6 -8.2 15.9 7.5 3.4 64 370 A L S < S- 0 0 8 -3,-1.7 2,-0.1 -4,-0.4 -4,-0.0 -0.370 94.9 -90.9 -75.8 160.3 19.6 8.1 3.7 65 371 A T > - 0 0 32 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.388 35.8-112.9 -68.3 153.9 22.1 6.4 1.4 66 372 A L H > S+ 0 0 54 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.945 118.0 53.4 -54.7 -48.0 23.6 3.1 2.7 67 373 A H H > S+ 0 0 82 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.902 109.7 47.0 -55.2 -41.5 27.0 4.8 3.0 68 374 A D H > S+ 0 0 13 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.848 109.7 53.2 -74.1 -33.8 25.6 7.7 5.1 69 375 A Q H X S+ 0 0 15 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.888 110.0 49.4 -58.9 -44.6 23.7 5.3 7.4 70 376 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.942 110.9 49.6 -61.7 -47.3 27.0 3.4 8.0 71 377 A H H X S+ 0 0 25 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.908 110.0 49.4 -58.2 -45.1 28.9 6.6 8.8 72 378 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.932 114.3 45.2 -63.1 -43.2 26.3 7.8 11.3 73 379 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.876 110.4 53.7 -68.0 -39.9 26.3 4.5 13.1 74 380 A E H < S+ 0 0 71 -4,-2.8 4,-0.2 1,-0.2 -1,-0.2 0.857 114.6 43.0 -60.8 -35.9 30.1 4.3 13.1 75 381 A C H < S+ 0 0 41 -4,-2.0 4,-0.3 -5,-0.2 -2,-0.2 0.874 125.4 30.8 -78.7 -34.2 30.2 7.7 14.7 76 382 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.529 83.1 100.9-104.4 -4.7 27.4 7.2 17.2 77 383 A W H X S+ 0 0 42 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.846 89.1 43.1 -61.0 -37.2 27.3 3.5 18.2 78 384 A L H > S+ 0 0 14 -4,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.924 113.4 50.8 -77.8 -39.0 29.1 3.9 21.6 79 385 A E H > S+ 0 0 2 -4,-0.3 4,-2.9 2,-0.2 5,-0.2 0.941 112.3 49.6 -52.1 -47.3 27.2 7.1 22.5 80 386 A I H X S+ 0 0 8 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.943 111.4 47.3 -62.4 -48.9 23.9 5.1 21.7 81 387 A L H X S+ 0 0 18 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.908 114.2 49.3 -55.0 -40.2 25.0 2.1 23.9 82 388 A M H X S+ 0 0 14 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.925 108.1 49.6 -76.0 -39.0 26.0 4.5 26.7 83 389 A I H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.873 111.3 51.7 -66.5 -31.3 22.8 6.5 26.8 84 390 A G H X S+ 0 0 12 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.929 110.6 48.8 -66.4 -41.7 20.8 3.3 26.9 85 391 A L H X S+ 0 0 9 -4,-2.1 4,-1.2 -5,-0.2 12,-0.4 0.903 111.6 47.9 -63.2 -41.6 23.0 2.1 29.8 86 392 A V H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.888 110.7 53.8 -66.0 -36.8 22.5 5.3 31.8 87 393 A W H >< S+ 0 0 80 -4,-2.0 3,-0.6 1,-0.2 4,-0.3 0.907 111.0 42.7 -66.2 -44.4 18.8 5.2 31.1 88 394 A R H 3< S+ 0 0 49 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.696 113.5 54.8 -79.8 -11.4 18.3 1.7 32.5 89 395 A S H >< S+ 0 0 0 -4,-1.2 3,-2.6 -5,-0.2 6,-0.3 0.625 80.3 96.1 -88.5 -12.0 20.6 2.5 35.4 90 396 A M T << S+ 0 0 18 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.1 0.792 85.4 45.6 -46.2 -44.0 18.5 5.6 36.4 91 397 A E T 3 S+ 0 0 164 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.110 103.9 71.3 -90.2 18.6 16.5 3.8 39.1 92 398 A H S X S- 0 0 62 -3,-2.6 3,-2.5 3,-0.2 -1,-0.2 -0.555 76.2-157.2-135.9 66.6 19.7 2.1 40.5 93 399 A P T 3 S+ 0 0 78 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.144 77.9 12.3 -49.4 135.6 21.7 4.8 42.2 94 400 A G T 3 S+ 0 0 48 29,-0.2 12,-0.6 1,-0.2 2,-0.3 0.335 117.0 86.3 77.0 -4.4 25.4 4.0 42.5 95 401 A K E < -A 105 0A 90 -3,-2.5 2,-0.6 -6,-0.3 10,-0.3 -0.931 66.9-138.5-130.4 153.8 25.1 1.1 40.0 96 402 A L E -A 104 0A 0 8,-3.5 8,-2.2 -2,-0.3 2,-1.5 -0.959 13.7-148.7-110.1 119.0 25.2 0.5 36.3 97 403 A L E +A 103 0A 24 -2,-0.6 6,-0.2 -12,-0.4 -9,-0.1 -0.648 27.9 165.0 -83.5 79.6 22.6 -2.0 35.0 98 404 A F E S- 0 0 24 -2,-1.5 -1,-0.2 4,-1.4 -77,-0.2 0.906 77.6 -13.6 -65.1 -37.6 24.6 -3.4 32.1 99 405 A A E > S-A 102 0A 0 3,-1.3 3,-2.6 -3,-0.2 -1,-0.3 -0.939 78.2 -98.9-150.8 160.4 21.9 -6.2 32.0 100 406 A P T 3 S+ 0 0 56 0, 0.0 3,-0.1 0, 0.0 -78,-0.1 0.806 129.0 40.7 -55.0 -25.9 19.2 -7.3 34.4 101 407 A N T 3 S+ 0 0 44 1,-0.2 2,-0.2 -4,-0.0 -79,-0.1 0.026 111.4 61.3-111.0 24.2 21.6 -10.0 35.5 102 408 A L E < +A 99 0A 5 -3,-2.6 -4,-1.4 2,-0.0 -3,-1.3 -0.604 58.3 160.6-151.9 85.7 24.7 -7.8 35.5 103 409 A L E -A 97 0A 56 -6,-0.2 2,-0.4 -5,-0.2 -6,-0.2 -0.953 17.6-172.7-112.1 109.4 24.5 -4.9 37.9 104 410 A L E -A 96 0A 3 -8,-2.2 -8,-3.5 -2,-0.6 2,-0.1 -0.878 13.2-154.2-115.6 138.0 27.9 -3.3 38.7 105 411 A D E >> -A 95 0A 58 -2,-0.4 3,-0.7 -10,-0.3 4,-0.7 -0.370 42.4 -92.1 -91.8 173.2 29.0 -0.7 41.2 106 412 A R H >> S+ 0 0 97 -12,-0.6 3,-1.2 1,-0.3 4,-1.1 0.878 123.4 57.7 -65.7 -34.2 32.1 1.5 40.9 107 413 A N H 34 S+ 0 0 93 1,-0.3 4,-0.5 2,-0.2 3,-0.3 0.855 100.2 58.8 -68.0 -24.1 34.3 -0.8 42.8 108 414 A Q H <4 S+ 0 0 57 -3,-0.7 3,-0.4 1,-0.2 -1,-0.3 0.734 100.3 58.9 -73.2 -16.9 33.5 -3.6 40.4 109 415 A G H X< S+ 0 0 0 -3,-1.2 3,-2.6 -4,-0.7 7,-0.4 0.832 88.4 70.1 -76.5 -31.2 34.9 -1.3 37.7 110 416 A K T 3< S+ 0 0 104 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.788 78.4 83.2 -57.3 -24.7 38.3 -1.1 39.4 111 417 A C T 3 S+ 0 0 92 -4,-0.5 2,-0.5 -3,-0.4 -1,-0.3 0.772 91.5 53.5 -48.1 -30.6 38.5 -4.7 38.2 112 418 A V S X> S- 0 0 16 -3,-2.6 3,-2.5 -4,-0.1 4,-0.7 -0.959 98.2-111.5-116.7 129.9 39.7 -3.3 34.9 113 419 A E T 34 S+ 0 0 166 -2,-0.5 -2,-0.1 1,-0.3 -3,-0.1 -0.316 101.7 3.6 -56.2 127.5 42.6 -0.8 34.6 114 420 A G T 3> S+ 0 0 30 -4,-0.1 4,-0.6 -2,-0.1 -1,-0.3 0.412 105.2 103.2 75.2 1.1 41.3 2.6 33.5 115 421 A M H X> + 0 0 9 -3,-2.5 4,-2.5 -6,-0.3 3,-0.5 0.845 63.1 66.7 -89.2 -28.9 37.6 1.5 33.7 116 422 A V H 3X S+ 0 0 19 -4,-0.7 4,-2.8 -7,-0.4 -1,-0.2 0.826 96.9 59.2 -56.7 -32.9 36.5 3.1 37.0 117 423 A E H 3> S+ 0 0 113 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.880 108.7 43.1 -61.4 -44.6 37.0 6.5 35.4 118 424 A I H S+ 0 0 0 -4,-2.4 5,-2.1 2,-0.2 4,-0.8 0.959 112.1 47.2 -56.7 -50.2 19.0 11.9 34.4 130 436 A R H ><5S+ 0 0 84 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.944 112.0 49.9 -57.1 -44.7 17.3 10.8 37.7 131 437 A M H 3<5S+ 0 0 147 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.838 111.7 48.1 -70.1 -25.8 17.5 14.3 39.1 132 438 A M H 3<5S- 0 0 14 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.545 107.4-128.9 -85.4 -8.3 16.0 15.8 35.9 133 439 A N T <<5 - 0 0 113 -3,-1.2 -3,-0.2 -4,-0.8 -2,-0.1 0.909 31.6-157.5 58.3 47.0 13.3 13.2 36.0 134 440 A L < - 0 0 6 -5,-2.1 2,-0.3 -6,-0.1 -1,-0.1 -0.262 7.0-136.5 -58.2 139.6 14.0 12.3 32.4 135 441 A Q >> - 0 0 83 -3,-0.1 4,-2.9 1,-0.1 3,-0.6 -0.730 15.9-117.5-105.3 152.8 11.0 10.7 30.8 136 442 A G H 3> S+ 0 0 21 -2,-0.3 4,-1.7 1,-0.3 5,-0.1 0.827 117.4 50.8 -49.4 -40.8 10.8 7.6 28.5 137 443 A E H 3> S+ 0 0 68 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.829 111.2 47.5 -70.8 -34.7 9.4 9.8 25.7 138 444 A E H <> S+ 0 0 12 -3,-0.6 4,-2.5 1,-0.2 -2,-0.2 0.915 108.2 56.1 -73.1 -43.8 12.3 12.3 26.1 139 445 A F H X S+ 0 0 3 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.892 104.8 50.2 -55.5 -43.5 14.9 9.6 26.2 140 446 A V H X S+ 0 0 2 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.918 110.6 51.3 -70.9 -30.8 13.9 8.1 22.8 141 447 A C H X S+ 0 0 0 -4,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.947 110.6 48.3 -62.7 -47.4 14.1 11.5 21.2 142 448 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.936 109.8 52.1 -58.9 -43.0 17.5 12.1 22.7 143 449 A K H X S+ 0 0 9 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.917 110.4 48.2 -63.3 -40.9 18.8 8.6 21.4 144 450 A S H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.910 108.0 54.5 -67.6 -35.8 17.5 9.4 17.9 145 451 A I H X S+ 0 0 11 -4,-2.3 4,-3.5 2,-0.2 5,-0.3 0.923 106.8 52.1 -60.8 -42.5 19.2 12.9 17.9 146 452 A I H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.963 108.8 50.6 -57.1 -52.5 22.5 11.2 18.8 147 453 A L H < S+ 0 0 0 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.889 119.6 35.5 -51.6 -47.0 22.1 8.8 15.9 148 454 A L H < S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.837 123.4 41.7 -80.7 -33.1 21.4 11.7 13.4 149 455 A N H >< S+ 0 0 56 -4,-3.5 3,-1.3 -5,-0.2 4,-0.5 0.852 94.1 70.4 -85.1 -39.4 23.7 14.3 14.9 150 456 A S T 3< S+ 0 0 8 -4,-2.5 3,-0.3 -5,-0.3 -1,-0.1 0.850 112.2 27.3 -62.8 -35.2 27.1 12.8 15.9 151 457 A G T > S+ 0 0 0 -4,-0.4 3,-0.9 -5,-0.3 -1,-0.3 0.396 91.8 97.6-102.4 5.5 28.4 12.1 12.4 152 458 A V T < S+ 0 0 1 -3,-1.3 3,-0.4 1,-0.2 -1,-0.2 0.791 85.7 47.8 -71.1 -18.7 26.6 14.8 10.4 153 459 A Y T 3 S+ 0 0 182 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.1 0.585 104.6 59.6 -91.9 -11.8 29.6 17.2 10.5 154 460 A T < + 0 0 85 -3,-0.9 2,-0.3 -4,-0.1 -1,-0.2 0.263 62.7 129.4-104.8 15.5 32.2 14.7 9.5 155 461 A F - 0 0 19 -3,-0.4 -87,-0.0 -4,-0.3 -3,-0.0 -0.574 54.3-143.0 -65.5 131.7 30.9 13.6 6.1 156 462 A L + 0 0 159 -2,-0.3 -1,-0.1 2,-0.0 0, 0.0 0.959 68.5 37.5 -54.4 -88.1 34.0 14.1 3.9 157 463 A S - 0 0 68 -3,-0.1 -2,-0.0 1,-0.1 0, 0.0 0.605 64.0-140.9 -46.2-164.4 32.8 15.4 0.5 158 464 A S + 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.184 37.9 158.3-172.2 53.5 30.1 17.8 -0.4 159 465 A T > - 0 0 68 1,-0.1 4,-2.0 4,-0.0 5,-0.1 -0.189 60.0 -99.5 -67.8 171.3 28.6 16.3 -3.5 160 466 A L H > S+ 0 0 126 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.950 128.7 50.1 -59.7 -48.7 25.0 17.3 -4.5 161 467 A K H > S+ 0 0 132 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.897 110.1 51.0 -50.0 -46.8 23.8 14.1 -2.9 162 468 A S H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.843 108.5 49.8 -66.0 -38.5 25.8 14.9 0.2 163 469 A L H X S+ 0 0 84 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.932 111.1 49.6 -68.3 -42.6 24.3 18.3 0.5 164 470 A E H X S+ 0 0 118 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.879 109.9 52.8 -59.7 -39.8 20.8 16.9 0.1 165 471 A E H X S+ 0 0 19 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.938 108.8 48.0 -64.1 -46.9 21.6 14.3 2.8 166 472 A K H X S+ 0 0 63 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.893 110.5 52.5 -61.6 -38.7 22.7 16.9 5.3 167 473 A D H X S+ 0 0 81 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.934 109.9 47.8 -61.6 -43.5 19.6 19.0 4.6 168 474 A H H X S+ 0 0 25 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.927 111.1 50.8 -64.6 -46.6 17.3 16.0 5.2 169 475 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.919 110.3 48.8 -57.8 -41.3 19.1 15.1 8.4 170 476 A H H X S+ 0 0 72 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.869 110.2 53.5 -71.3 -29.5 18.8 18.7 9.8 171 477 A R H X S+ 0 0 101 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.879 109.5 47.2 -67.1 -39.7 15.2 18.6 8.8 172 478 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.955 110.0 51.6 -70.7 -43.1 14.6 15.4 10.8 173 479 A L H X S+ 0 0 17 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.898 107.5 56.0 -55.6 -39.6 16.5 16.8 13.8 174 480 A D H X S+ 0 0 103 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.901 106.2 48.9 -58.0 -45.1 14.3 19.8 13.6 175 481 A K H X S+ 0 0 36 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.863 108.7 52.9 -68.9 -32.5 11.2 17.7 13.8 176 482 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.881 107.6 52.3 -70.7 -31.0 12.6 15.8 16.9 177 483 A T H X S+ 0 0 41 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.966 108.9 50.2 -61.7 -49.5 13.1 19.3 18.5 178 484 A D H X S+ 0 0 97 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.832 110.9 50.5 -53.8 -38.5 9.5 20.0 17.7 179 485 A T H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.931 109.1 48.9 -67.3 -47.3 8.5 16.7 19.3 180 486 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.912 113.4 47.9 -58.5 -41.2 10.5 17.3 22.5 181 487 A I H X S+ 0 0 50 -4,-2.7 4,-2.2 -5,-0.2 5,-0.2 0.954 111.4 51.2 -68.0 -37.8 9.0 20.7 22.8 182 488 A H H X S+ 0 0 60 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.878 108.3 51.8 -63.4 -38.6 5.5 19.1 22.2 183 489 A L H X S+ 0 0 11 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.951 110.6 47.9 -63.2 -44.0 6.2 16.6 24.9 184 490 A M H X>S+ 0 0 2 -4,-2.2 5,-2.0 1,-0.2 4,-0.5 0.882 110.9 49.9 -66.7 -37.9 7.1 19.3 27.4 185 491 A A H ><5S+ 0 0 46 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.903 108.4 53.6 -63.6 -41.6 4.1 21.5 26.6 186 492 A K H 3<5S+ 0 0 129 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.846 104.5 56.3 -62.8 -30.9 1.8 18.5 27.0 187 493 A A H 3<5S- 0 0 77 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.566 122.5-106.6 -79.6 -15.2 3.3 17.9 30.4 188 494 A G T <<5 + 0 0 59 -3,-1.1 -3,-0.2 -4,-0.5 2,-0.2 0.699 64.9 151.4 98.6 15.3 2.4 21.4 31.5 189 495 A L < - 0 0 49 -5,-2.0 -1,-0.2 1,-0.1 2,-0.0 -0.419 47.8-111.7 -70.5 145.5 5.7 23.2 31.5 190 496 A T > - 0 0 75 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.415 31.5-101.7 -71.0 162.7 5.7 26.9 30.8 191 497 A L H > S+ 0 0 135 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.899 126.5 50.1 -43.9 -50.2 7.2 28.3 27.5 192 498 A Q H > S+ 0 0 115 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.893 109.5 47.9 -62.6 -42.7 10.1 29.3 29.6 193 499 A Q H > S+ 0 0 89 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.858 107.2 59.6 -68.1 -30.5 10.6 25.9 31.3 194 500 A Q H X S+ 0 0 19 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.972 109.3 40.5 -61.2 -51.4 10.3 24.1 27.9 195 501 A H H X S+ 0 0 109 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.933 115.6 51.3 -68.6 -39.9 13.2 25.9 26.4 196 502 A Q H X S+ 0 0 82 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.955 113.5 44.8 -59.7 -48.2 15.3 25.6 29.5 197 503 A R H X S+ 0 0 35 -4,-3.3 4,-2.7 1,-0.2 5,-0.2 0.894 109.9 55.3 -66.2 -34.9 14.6 21.8 29.7 198 504 A L H X S+ 0 0 28 -4,-3.2 4,-2.3 -5,-0.3 -1,-0.2 0.960 111.1 45.3 -59.1 -45.1 15.3 21.5 26.0 199 505 A A H X S+ 0 0 51 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.916 110.3 53.5 -65.6 -41.5 18.7 23.1 26.6 200 506 A Q H X S+ 0 0 73 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.951 111.9 46.0 -57.7 -47.8 19.3 21.0 29.7 201 507 A L H X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 3,-0.2 0.902 112.9 48.4 -58.9 -43.3 18.7 17.8 27.7 202 508 A L H X S+ 0 0 63 -4,-2.3 4,-0.6 1,-0.2 3,-0.5 0.857 106.3 56.7 -75.3 -31.0 20.8 18.8 24.7 203 509 A L H >X S+ 0 0 112 -4,-2.4 4,-1.0 1,-0.2 3,-0.9 0.822 97.7 62.2 -69.9 -25.7 23.7 19.8 26.8 204 510 A I H 3X S+ 0 0 9 -4,-1.2 4,-2.0 1,-0.3 3,-0.4 0.870 93.4 66.2 -64.1 -29.4 23.8 16.3 28.4 205 511 A L H 3X S+ 0 0 19 -4,-0.8 4,-1.8 -3,-0.5 -1,-0.3 0.810 93.7 57.1 -64.2 -27.9 24.5 15.0 24.9 206 512 A S H < S+ 0 0 43 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.932 110.5 52.0 -69.4 -45.9 40.0 3.3 26.7 219 525 A L H 3< S+ 0 0 59 -4,-3.7 5,-0.4 1,-0.3 3,-0.3 0.855 98.0 68.9 -60.3 -31.5 38.7 0.4 24.5 220 526 A Y T 3< + 0 0 137 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.1 0.302 67.5 97.4 -75.0 18.3 41.7 0.9 22.1 221 527 A S S < S- 0 0 77 -3,-1.5 -1,-0.2 1,-0.0 -2,-0.1 0.017 96.0-112.2 -95.2 39.8 44.1 -0.4 24.7 222 528 A M S S+ 0 0 120 -3,-0.3 3,-0.1 1,-0.1 -2,-0.1 0.753 86.2 95.7 47.8 140.7 43.9 -3.8 22.9 223 529 A K S S+ 0 0 180 1,-0.6 -1,-0.1 -186,-0.0 -3,-0.1 -0.243 77.1 76.7 146.6 -37.7 42.4 -7.0 24.3 224 530 A C S S- 0 0 47 -5,-0.4 -1,-0.6 1,-0.1 2,-0.4 0.129 97.4 -65.3 -80.2-169.5 39.0 -6.6 22.7 225 531 A K + 0 0 100 1,-0.1 -1,-0.1 -3,-0.1 -3,-0.0 -0.777 53.9 149.2 -92.8 132.9 37.9 -7.2 19.1 226 532 A N + 0 0 87 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.1 -0.001 34.3 130.5-143.4 19.4 39.3 -4.9 16.4 227 533 A V + 0 0 108 2,-0.1 -2,-0.0 3,-0.0 0, 0.0 -0.644 67.3 11.3 -82.5 135.1 39.1 -7.6 13.6 228 534 A V S S- 0 0 89 -2,-0.3 5,-0.1 4,-0.0 -3,-0.0 0.718 105.2 -83.2 57.8 126.1 37.5 -6.5 10.4 229 535 A P > - 0 0 70 0, 0.0 4,-1.6 0, 0.0 5,-0.1 -0.176 32.7-122.7 -57.0 151.9 36.9 -2.7 10.3 230 536 A L H > S+ 0 0 46 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.863 110.5 59.9 -62.9 -39.8 33.8 -1.5 12.0 231 537 A Y H > S+ 0 0 64 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.953 106.1 47.6 -48.4 -54.1 32.6 0.2 8.8 232 538 A D H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.888 111.5 47.9 -62.0 -41.0 32.5 -3.1 7.0 233 539 A L H X S+ 0 0 55 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.909 114.4 47.6 -70.4 -38.1 30.7 -5.0 9.8 234 540 A L H X S+ 0 0 0 -4,-2.4 4,-3.4 2,-0.2 5,-0.2 0.878 111.6 50.8 -62.0 -44.5 28.1 -2.2 10.0 235 541 A L H X S+ 0 0 54 -4,-3.0 4,-4.2 -5,-0.3 -2,-0.2 0.973 108.4 51.1 -62.2 -47.9 27.7 -2.2 6.3 236 542 A E H < S+ 0 0 154 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.925 115.8 42.6 -50.6 -50.0 27.2 -6.0 6.2 237 543 A M H < S+ 0 0 47 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.890 120.6 40.9 -63.2 -48.6 24.5 -5.6 8.8 238 544 A L H < S+ 0 0 8 -4,-3.4 2,-2.3 1,-0.2 -2,-0.2 0.852 99.0 75.1 -70.9 -41.4 22.9 -2.6 7.2 239 545 A D S < S+ 0 0 102 -4,-4.2 -1,-0.2 -5,-0.2 2,-0.2 -0.420 72.8 167.2 -75.3 64.9 23.2 -3.8 3.5 240 546 A A - 0 0 59 -2,-2.3 2,-0.1 -3,-0.1 -3,-0.1 -0.409 32.6-134.3 -82.9 150.2 20.3 -6.2 3.8 241 547 A H - 0 0 105 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.410 16.8-129.3 -82.8-179.1 18.6 -8.0 1.0 242 548 A R S > S+ 0 0 222 1,-0.1 3,-1.6 -2,-0.1 -1,-0.1 0.248 76.6 107.8-114.2 17.2 14.8 -8.1 1.0 243 549 A L T 3 S+ 0 0 136 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.838 73.2 58.8 -63.5 -33.1 14.4 -11.9 0.5 244 550 A H T 3 0 0 174 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.194 360.0 360.0 -84.3 24.6 13.3 -12.6 4.0 245 551 A A < 0 0 123 -3,-1.6 -1,-0.2 0, 0.0 -2,-0.2 0.971 360.0 360.0 -75.4 360.0 10.4 -10.2 3.3