==== 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 12-FEB-07 2OUZ . COMPND 2 MOLECULE: ESTROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.F.VAJDOS,J.PANDIT . 246 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13254.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 74.4 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 . 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 . 10 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 55.7 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 0 0 0 0 0 1 0 1 0 0 1 0 0 1 0 0 0 1 0 0 1 0 0 1 0 0 1 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 1 306 A L >> 0 0 110 0, 0.0 4,-0.6 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 119.5 7.3 10.0 4.9 2 307 A A G >4 + 0 0 7 1,-0.2 3,-0.6 2,-0.2 60,-0.0 0.824 360.0 58.4 -72.2 -35.7 9.2 11.1 8.0 3 308 A L G 34 S+ 0 0 63 1,-0.2 -1,-0.2 58,-0.0 0, 0.0 0.665 102.2 57.5 -73.3 -12.6 8.7 14.8 7.5 4 309 A S G <4 S+ 0 0 85 -3,-0.5 -1,-0.2 2,-0.0 -2,-0.2 0.676 80.0 112.1 -89.6 -19.4 4.9 14.3 7.5 5 310 A L << - 0 0 39 -3,-0.6 2,-0.1 -4,-0.6 -3,-0.0 -0.184 63.0-132.2 -52.9 143.6 4.6 12.7 11.0 6 311 A T > - 0 0 75 1,-0.1 4,-2.3 174,-0.0 5,-0.1 -0.351 34.2 -98.7 -77.6 170.9 2.9 14.6 13.7 7 312 A A H > S+ 0 0 24 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.932 126.3 51.0 -58.8 -44.6 4.6 14.8 17.1 8 313 A D H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.823 111.2 48.5 -58.9 -38.3 2.4 12.0 18.5 9 314 A Q H > S+ 0 0 96 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.839 109.2 52.4 -75.9 -35.7 3.3 9.9 15.5 10 315 A M H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.967 114.4 42.5 -60.4 -53.1 7.0 10.6 15.9 11 316 A V H X S+ 0 0 12 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.949 113.4 50.6 -57.8 -56.3 6.9 9.5 19.5 12 317 A S H X S+ 0 0 61 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.889 112.0 49.9 -47.9 -39.3 4.7 6.4 18.8 13 318 A A H X S+ 0 0 32 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.908 113.3 44.5 -73.1 -39.6 7.2 5.5 16.1 14 319 A L H X S+ 0 0 1 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.902 113.7 50.2 -66.7 -40.4 10.2 5.9 18.4 15 320 A L H >< S+ 0 0 67 -4,-3.0 3,-0.9 1,-0.2 -2,-0.2 0.914 111.4 48.1 -66.5 -41.2 8.5 4.0 21.2 16 321 A D H 3< S+ 0 0 107 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.740 107.8 58.0 -72.3 -23.0 7.6 1.2 18.9 17 322 A A H 3< S+ 0 0 4 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.601 75.2 129.5 -80.3 -15.2 11.1 1.0 17.6 18 323 A E << - 0 0 66 -3,-0.9 -3,-0.0 -4,-0.7 34,-0.0 -0.073 56.6-125.8 -46.4 135.9 12.8 0.4 21.0 19 324 A P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.294 30.8 -94.9 -74.7 168.9 15.3 -2.5 21.1 20 325 A P - 0 0 70 0, 0.0 2,-0.6 0, 0.0 31,-0.1 -0.360 31.7-110.5 -77.7 163.8 15.0 -5.3 23.6 21 326 A I - 0 0 100 -2,-0.1 2,-0.2 79,-0.0 79,-0.1 -0.849 40.4-156.7 -91.2 118.7 16.8 -5.5 26.8 22 327 A L - 0 0 32 -2,-0.6 2,-0.3 22,-0.0 22,-0.0 -0.544 7.6-124.7 -96.5 167.1 19.4 -8.3 26.6 23 328 A Y - 0 0 136 -2,-0.2 2,-0.2 77,-0.2 77,-0.0 -0.780 25.5-108.6-105.9 148.7 21.1 -10.4 29.2 24 329 A S - 0 0 4 -2,-0.3 2,-0.9 1,-0.1 17,-0.1 -0.538 35.2-123.5 -68.1 144.3 24.8 -10.9 29.8 25 330 A E + 0 0 128 15,-0.2 2,-0.3 -2,-0.2 18,-0.1 -0.809 56.7 123.4 -98.9 104.8 25.8 -14.4 28.8 26 331 A Y - 0 0 92 -2,-0.9 3,-0.1 9,-0.0 -2,-0.0 -0.986 68.3 -98.1-156.0 156.3 27.5 -16.2 31.8 27 332 A D > - 0 0 97 -2,-0.3 3,-0.5 1,-0.2 -2,-0.0 -0.656 31.8-162.6 -71.1 108.0 27.2 -19.3 33.8 28 333 A P T 3 S+ 0 0 104 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.755 86.9 63.8 -71.4 -19.2 25.4 -18.0 36.9 29 334 A T T 3 S+ 0 0 127 2,-0.1 -2,-0.1 -3,-0.1 0, 0.0 -0.363 91.5 88.1 -94.5 51.6 26.5 -21.1 38.8 30 335 A R S < S- 0 0 34 -2,-0.6 5,-0.1 -3,-0.5 -4,-0.0 -0.991 89.4 -87.8-149.6 140.4 30.2 -20.1 38.5 31 336 A P > - 0 0 79 0, 0.0 3,-1.3 0, 0.0 4,-0.4 -0.177 25.3-139.0 -55.3 135.7 32.5 -17.9 40.7 32 337 A F G > S+ 0 0 104 1,-0.3 3,-1.7 2,-0.2 0, 0.0 0.878 102.3 70.2 -62.0 -40.7 32.4 -14.2 39.8 33 338 A S G 3 S+ 0 0 111 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.793 95.4 58.1 -31.9 -39.5 36.2 -14.2 40.3 34 339 A E G < S+ 0 0 146 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.660 86.8 88.1 -78.3 -26.4 36.3 -16.3 37.1 35 340 A A S < S- 0 0 41 -3,-1.7 2,-0.7 -4,-0.4 3,-0.1 -0.447 72.9-131.8 -76.7 150.3 34.6 -13.9 34.6 36 341 A S > - 0 0 75 1,-0.2 4,-2.7 -2,-0.1 5,-0.2 -0.935 13.7-153.3 -93.4 117.2 36.4 -11.3 32.7 37 342 A M H > S+ 0 0 16 -2,-0.7 4,-2.3 2,-0.2 5,-0.2 0.917 95.6 48.2 -55.7 -44.8 34.4 -8.1 33.2 38 343 A M H > S+ 0 0 44 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.908 110.4 53.3 -67.1 -37.4 35.5 -6.6 29.8 39 344 A G H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.942 109.5 48.6 -55.6 -52.1 34.7 -10.0 28.1 40 345 A L H X S+ 0 0 16 -4,-2.7 4,-2.1 1,-0.2 -15,-0.2 0.941 115.6 42.8 -51.9 -51.7 31.2 -9.8 29.6 41 346 A L H X S+ 0 0 21 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.871 113.1 51.7 -72.0 -39.2 30.6 -6.3 28.5 42 347 A T H X S+ 0 0 47 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.904 110.6 49.6 -57.2 -44.4 32.2 -6.7 25.1 43 348 A N H X S+ 0 0 62 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.916 114.1 45.3 -63.6 -42.9 29.9 -9.8 24.5 44 349 A L H X S+ 0 0 4 -4,-2.1 4,-2.2 -5,-0.2 3,-0.3 0.952 111.7 50.2 -65.8 -51.3 26.9 -7.8 25.5 45 350 A A H X S+ 0 0 23 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.859 109.6 52.3 -53.9 -44.2 27.7 -4.7 23.5 46 351 A D H X S+ 0 0 97 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.857 110.0 47.3 -65.6 -39.3 28.3 -6.8 20.4 47 352 A R H X S+ 0 0 67 -4,-1.7 4,-1.0 -3,-0.3 3,-0.3 0.861 110.0 54.5 -65.5 -37.3 24.9 -8.5 20.7 48 353 A E H X S+ 0 0 35 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.733 97.5 65.5 -66.9 -26.4 23.2 -5.1 21.3 49 354 A L H X S+ 0 0 8 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.928 95.9 54.6 -69.3 -38.2 24.7 -3.7 18.1 50 355 A V H X S+ 0 0 72 -4,-0.9 4,-1.3 -3,-0.3 3,-0.2 0.932 111.4 45.6 -56.9 -48.3 22.7 -6.0 15.9 51 356 A H H X S+ 0 0 65 -4,-1.0 4,-2.4 1,-0.2 -1,-0.3 0.768 105.3 61.9 -67.2 -27.1 19.5 -4.8 17.5 52 357 A M H X S+ 0 0 9 -4,-1.5 4,-3.1 2,-0.2 -1,-0.2 0.905 100.4 54.5 -66.6 -35.8 20.7 -1.2 17.2 53 358 A I H X S+ 0 0 3 -4,-1.8 4,-2.1 -3,-0.2 -2,-0.2 0.924 109.6 46.1 -57.0 -45.5 20.7 -1.7 13.4 54 359 A N H X S+ 0 0 87 -4,-1.3 4,-0.6 1,-0.2 -2,-0.2 0.899 114.0 48.9 -69.6 -42.5 17.1 -2.8 13.5 55 360 A W H >< S+ 0 0 6 -4,-2.4 3,-1.6 1,-0.2 4,-0.4 0.941 110.5 50.7 -53.5 -55.3 16.2 0.1 15.8 56 361 A A H >< S+ 0 0 0 -4,-3.1 3,-1.7 1,-0.3 6,-0.2 0.884 102.8 58.3 -57.3 -39.6 18.0 2.6 13.6 57 362 A K H 3< S+ 0 0 59 -4,-2.1 6,-0.4 1,-0.3 -1,-0.3 0.721 107.0 51.1 -65.2 -16.8 16.2 1.4 10.4 58 363 A R T << S+ 0 0 139 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.424 79.4 106.1-100.2 -2.6 12.9 2.3 12.3 59 364 A V S X S- 0 0 2 -3,-1.7 3,-2.2 -4,-0.4 4,-0.5 -0.698 89.1-105.9 -74.8 114.3 14.0 5.8 13.3 60 365 A P T 3 S+ 0 0 20 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.285 101.8 15.1 -50.1 133.8 11.8 7.9 10.8 61 366 A G T > S+ 0 0 6 -4,-0.1 3,-0.7 1,-0.0 4,-0.4 0.054 96.3 103.4 93.2 -20.0 14.0 9.3 8.1 62 367 A F G X S+ 0 0 0 -3,-2.2 3,-1.6 1,-0.2 -5,-0.1 0.931 81.6 45.4 -63.1 -50.7 17.0 7.1 8.7 63 368 A V G 3 S+ 0 0 76 -4,-0.5 -1,-0.2 -6,-0.4 -6,-0.1 0.526 96.1 75.3 -78.0 -1.7 16.5 4.7 5.7 64 369 A D G < S+ 0 0 90 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.691 87.3 83.5 -71.5 -19.1 15.7 7.6 3.4 65 370 A L S < S- 0 0 10 -3,-1.6 2,-0.1 -4,-0.4 -4,-0.0 -0.241 95.3 -89.1 -76.4 168.2 19.5 8.2 3.5 66 371 A T > - 0 0 32 1,-0.1 4,-2.8 -2,-0.0 5,-0.2 -0.416 35.1-114.3 -73.2 155.6 22.1 6.4 1.4 67 372 A L H > S+ 0 0 53 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.924 119.0 52.6 -54.6 -48.8 23.6 3.1 2.8 68 373 A H H > S+ 0 0 93 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.927 110.9 46.9 -54.0 -50.1 27.0 4.8 3.0 69 374 A D H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.901 109.8 52.3 -59.2 -42.5 25.5 7.7 5.1 70 375 A Q H X S+ 0 0 19 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.899 110.7 48.7 -60.1 -43.8 23.6 5.3 7.3 71 376 A V H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 -2,-0.2 0.928 111.1 51.3 -60.6 -44.3 26.9 3.4 8.1 72 377 A H H X S+ 0 0 26 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.913 108.7 49.3 -62.9 -41.7 28.7 6.6 8.8 73 378 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.936 115.1 43.8 -66.5 -43.8 26.1 7.8 11.2 74 379 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.893 110.4 55.4 -64.8 -38.2 26.1 4.5 13.1 75 380 A E H < S+ 0 0 67 -4,-3.3 4,-0.2 1,-0.2 -2,-0.2 0.879 114.9 40.4 -61.1 -40.0 29.9 4.3 13.0 76 381 A C H < S+ 0 0 37 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.807 127.3 32.2 -74.2 -33.1 30.0 7.8 14.7 77 382 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.616 82.8 96.4-102.3 -18.0 27.2 7.1 17.1 78 383 A W H X S+ 0 0 31 -4,-2.6 4,-2.2 1,-0.2 5,-0.1 0.805 89.9 47.2 -57.2 -36.1 27.0 3.5 18.2 79 384 A L H > S+ 0 0 17 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.930 111.5 50.0 -75.8 -38.0 28.9 3.9 21.5 80 385 A E H > S+ 0 0 3 -4,-0.3 4,-2.8 1,-0.2 5,-0.2 0.917 110.6 51.9 -57.6 -43.3 26.9 7.0 22.5 81 386 A I H X S+ 0 0 9 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.929 109.8 47.3 -64.5 -45.5 23.8 5.0 21.8 82 387 A L H X S+ 0 0 18 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.899 115.0 49.2 -56.4 -42.2 24.9 2.0 24.0 83 388 A M H X S+ 0 0 11 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.895 108.0 49.6 -68.3 -45.1 25.8 4.5 26.7 84 389 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.890 112.5 49.8 -64.8 -34.7 22.6 6.5 26.7 85 390 A G H X S+ 0 0 11 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.931 110.6 49.8 -62.6 -44.4 20.6 3.2 27.0 86 391 A L H X S+ 0 0 9 -4,-2.2 4,-1.1 2,-0.2 12,-0.4 0.917 111.7 47.7 -57.3 -47.7 22.8 2.1 29.9 87 392 A V H X S+ 0 0 0 -4,-2.7 4,-0.6 2,-0.2 3,-0.4 0.914 110.3 53.3 -65.4 -41.5 22.3 5.4 31.7 88 393 A W H >< S+ 0 0 80 -4,-2.4 3,-1.4 1,-0.2 4,-0.3 0.960 112.0 43.1 -55.3 -56.7 18.5 5.2 31.1 89 394 A R H 3< S+ 0 0 35 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.692 110.5 57.9 -69.5 -12.2 18.2 1.7 32.6 90 395 A S H >< S+ 0 0 0 -4,-1.1 3,-2.3 -3,-0.4 6,-0.3 0.541 78.2 95.3 -91.3 -8.5 20.5 2.6 35.5 91 396 A M T << S+ 0 0 23 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.1 0.872 85.6 46.8 -49.7 -44.6 18.3 5.6 36.7 92 397 A E T 3 S+ 0 0 170 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.194 102.8 71.1 -87.8 19.7 16.4 3.5 39.2 93 398 A H S X S- 0 0 61 -3,-2.3 3,-2.7 3,-0.2 -1,-0.2 -0.483 76.3-157.3-135.2 60.9 19.7 2.0 40.5 94 399 A P T 3 S+ 0 0 85 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.046 79.5 10.0 -43.2 127.7 21.5 4.9 42.3 95 400 A G T 3 S+ 0 0 45 1,-0.2 12,-0.7 29,-0.2 2,-0.3 0.457 117.6 88.2 81.6 0.2 25.3 4.2 42.5 96 401 A K E < -A 106 0A 74 -3,-2.7 2,-0.6 -6,-0.3 10,-0.2 -0.940 67.3-135.4-135.6 155.6 25.0 1.2 40.1 97 402 A L E -A 105 0A 0 8,-3.2 8,-2.3 -2,-0.3 2,-1.4 -0.953 11.8-150.4-114.4 119.9 25.1 0.6 36.4 98 403 A L E +A 104 0A 26 -2,-0.6 6,-0.2 -12,-0.4 -9,-0.1 -0.649 26.8 164.5 -90.1 81.6 22.5 -1.8 35.0 99 404 A F E S- 0 0 20 4,-1.5 -1,-0.2 -2,-1.4 5,-0.2 0.893 76.7 -17.9 -64.7 -39.4 24.5 -3.3 32.1 100 405 A A E > S-A 103 0A 0 3,-1.1 3,-2.1 -3,-0.2 -1,-0.2 -0.947 78.6 -93.6-153.0 169.2 21.9 -6.0 31.9 101 406 A P T 3 S+ 0 0 60 0, 0.0 3,-0.2 0, 0.0 -78,-0.1 0.850 129.5 41.0 -61.2 -29.7 19.2 -7.4 34.3 102 407 A N T 3 S+ 0 0 46 1,-0.2 2,-0.1 -4,-0.0 -79,-0.1 0.006 112.0 60.4-100.2 26.0 21.8 -10.0 35.5 103 408 A L E < +A 100 0A 7 -3,-2.1 -4,-1.5 2,-0.0 -3,-1.1 -0.524 55.8 156.9-154.7 79.5 24.8 -7.6 35.5 104 409 A L E -A 98 0A 59 -6,-0.2 2,-0.4 -5,-0.2 -6,-0.2 -0.938 21.2-172.2-108.0 118.1 24.4 -4.6 37.9 105 410 A L E -A 97 0A 2 -8,-2.3 -8,-3.2 -2,-0.5 2,-0.2 -0.928 14.2-149.3-118.8 137.7 27.8 -3.2 38.9 106 411 A D E >> -A 96 0A 47 -2,-0.4 3,-1.4 -10,-0.2 4,-0.8 -0.520 41.8 -94.7 -90.5 172.6 28.8 -0.6 41.4 107 412 A R G >4 S+ 0 0 106 -12,-0.7 3,-0.9 1,-0.3 4,-0.4 0.840 124.2 61.9 -62.5 -32.4 31.9 1.6 41.0 108 413 A N G >4 S+ 0 0 102 1,-0.2 3,-0.7 2,-0.2 -1,-0.3 0.800 101.4 53.1 -58.4 -30.9 34.0 -0.7 43.1 109 414 A Q G X4 S+ 0 0 62 -3,-1.4 3,-0.7 1,-0.2 -1,-0.2 0.670 98.9 64.7 -79.5 -15.6 33.3 -3.4 40.4 110 415 A G G << S+ 0 0 2 -3,-0.9 7,-0.8 -4,-0.8 -1,-0.2 0.623 85.8 76.8 -72.7 -13.3 34.6 -1.0 37.7 111 416 A K G < + 0 0 123 -3,-0.7 2,-2.2 -4,-0.4 -1,-0.2 0.470 53.6 109.1 -80.7 -7.0 38.1 -1.0 39.2 112 417 A C S < S- 0 0 80 -3,-0.7 4,-0.1 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-1,-0.2 0.922 110.3 48.7 -64.7 -45.5 30.9 9.5 34.3 123 428 A L H X S+ 0 0 4 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.878 111.4 50.5 -60.8 -38.7 28.2 7.1 33.3 124 429 A L H X S+ 0 0 25 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.895 108.5 51.7 -67.3 -42.4 26.8 7.1 36.9 125 430 A A H X S+ 0 0 60 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.852 109.7 49.7 -61.6 -38.3 26.8 10.9 37.0 126 431 A T H X S+ 0 0 12 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.939 111.1 48.9 -68.7 -46.9 24.8 11.1 33.8 127 432 A S H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.915 111.4 50.9 -51.6 -47.1 22.3 8.5 35.2 128 433 A S H X S+ 0 0 52 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.903 109.0 51.5 -56.1 -45.4 22.2 10.7 38.4 129 434 A R H X S+ 0 0 107 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.922 109.6 47.8 -64.0 -43.5 21.5 13.7 36.2 130 435 A F H <>S+ 0 0 0 -4,-2.6 5,-2.3 2,-0.2 4,-0.5 0.887 110.6 53.0 -64.5 -39.9 18.6 12.0 34.3 131 436 A R H ><5S+ 0 0 85 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.940 109.2 48.8 -52.6 -55.8 17.2 10.9 37.7 132 437 A M H 3<5S+ 0 0 82 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.774 112.6 48.5 -57.1 -32.9 17.2 14.4 39.0 133 438 A M T 3<5S- 0 0 12 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.533 105.9-128.3 -84.3 -6.6 15.6 15.7 35.8 134 439 A N T < 5 - 0 0 110 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.962 31.9-154.0 55.1 49.4 12.9 13.0 36.0 135 440 A L < - 0 0 5 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.2 -0.350 5.8-139.4 -54.5 130.7 13.7 12.1 32.4 136 441 A Q > - 0 0 87 -3,-0.1 4,-2.5 1,-0.1 3,-0.5 -0.677 16.3-118.4 -95.9 151.2 10.7 10.5 30.7 137 442 A G H > S+ 0 0 19 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.846 115.2 53.2 -50.8 -43.1 10.7 7.5 28.3 138 443 A E H > S+ 0 0 74 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.820 110.3 46.7 -64.6 -37.2 9.3 9.6 25.5 139 444 A E H > S+ 0 0 10 -3,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.904 109.3 56.0 -67.1 -42.6 12.1 12.2 25.9 140 445 A F H X S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.899 105.7 49.3 -57.3 -44.8 14.7 9.4 26.1 141 446 A V H X S+ 0 0 2 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.897 110.3 52.1 -68.2 -34.0 13.8 7.9 22.7 142 447 A C H X S+ 0 0 0 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.961 111.4 47.0 -60.0 -52.6 13.9 11.4 21.1 143 448 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.882 109.8 51.6 -59.0 -43.2 17.4 12.0 22.5 144 449 A K H X S+ 0 0 9 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.895 112.0 48.9 -62.1 -35.8 18.7 8.6 21.4 145 450 A S H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.860 106.9 54.9 -70.9 -34.7 17.4 9.4 17.9 146 451 A I H X S+ 0 0 12 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.919 106.6 50.9 -65.4 -40.9 19.0 12.8 18.0 147 452 A I H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.925 108.4 52.8 -59.1 -51.7 22.4 11.2 18.7 148 453 A L H < S+ 0 0 0 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.935 117.9 36.2 -46.1 -51.8 21.9 8.8 15.8 149 454 A L H < S+ 0 0 2 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.800 124.4 38.2 -76.2 -33.9 21.2 11.6 13.4 150 455 A N H >< S+ 0 0 55 -4,-2.6 3,-0.8 -5,-0.2 4,-0.5 0.787 94.9 73.3 -90.7 -33.0 23.6 14.3 14.8 151 456 A S T 3< S+ 0 0 8 -4,-2.5 3,-0.2 1,-0.3 -3,-0.1 0.877 112.3 26.9 -63.3 -36.7 26.9 12.6 15.8 152 457 A G T > S+ 0 0 0 -4,-0.5 3,-1.4 -5,-0.3 -1,-0.3 0.442 92.7 98.9 -99.0 -3.3 28.1 12.0 12.4 153 458 A V T < S+ 0 0 1 -3,-0.8 3,-0.4 1,-0.3 -1,-0.2 0.730 86.3 44.0 -68.0 -26.4 26.4 14.8 10.4 154 459 A Y T 3 S+ 0 0 175 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.1 0.446 105.7 62.5 -98.0 5.6 29.4 17.2 10.4 155 460 A T < + 0 0 84 -3,-1.4 2,-0.6 2,-0.0 -1,-0.2 0.087 62.9 123.8-113.4 19.7 32.0 14.6 9.5 156 461 A F - 0 0 19 -3,-0.4 -87,-0.0 1,-0.1 -3,-0.0 -0.720 57.0-148.0 -70.5 123.2 30.6 13.6 6.1 157 462 A L + 0 0 113 -2,-0.6 2,-0.3 2,-0.0 -1,-0.1 0.167 66.6 83.8 -85.8 19.2 33.8 14.2 3.9 158 463 A S - 0 0 42 2,-0.1 -2,-0.1 5,-0.1 0, 0.0 -0.890 46.7-174.8-121.3 149.6 31.7 15.3 0.8 159 464 A S + 0 0 84 -2,-0.3 -1,-0.1 4,-0.0 -2,-0.0 -0.107 44.9 138.0-128.1 31.6 30.0 18.5 -0.5 160 465 A T S > S- 0 0 80 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.221 71.2-105.2 -62.3 161.2 28.5 16.7 -3.5 161 466 A L H > S+ 0 0 120 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.895 123.8 51.9 -63.5 -40.7 24.9 17.6 -4.4 162 467 A K H > S+ 0 0 130 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.836 108.4 50.7 -59.6 -37.5 23.7 14.3 -3.0 163 468 A S H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.823 107.8 52.9 -75.8 -33.7 25.6 14.9 0.2 164 469 A L H X S+ 0 0 94 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.895 110.6 48.1 -62.2 -40.4 24.0 18.4 0.6 165 470 A E H X S+ 0 0 110 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.917 110.2 52.0 -68.7 -41.1 20.6 16.7 0.2 166 471 A E H X S+ 0 0 19 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.947 113.4 43.5 -57.8 -52.2 21.5 14.1 2.8 167 472 A K H X S+ 0 0 47 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.885 112.2 52.2 -61.4 -44.9 22.5 16.7 5.3 168 473 A D H X S+ 0 0 85 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.962 110.7 49.3 -59.6 -45.2 19.5 18.9 4.6 169 474 A H H X S+ 0 0 39 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.917 110.5 50.1 -58.6 -45.0 17.2 15.8 5.2 170 475 A I H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.892 110.0 50.3 -59.1 -43.4 19.0 15.0 8.4 171 476 A H H X S+ 0 0 58 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.878 108.8 52.5 -66.0 -37.2 18.6 18.6 9.7 172 477 A R H X S+ 0 0 135 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.925 111.6 45.7 -61.4 -45.7 14.8 18.5 8.8 173 478 A V H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.935 111.5 51.2 -62.5 -48.4 14.3 15.3 10.8 174 479 A L H X S+ 0 0 16 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.895 108.7 52.9 -57.6 -38.0 16.3 16.6 13.7 175 480 A D H X S+ 0 0 101 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.926 107.2 51.8 -60.8 -47.4 14.1 19.7 13.6 176 481 A K H X S+ 0 0 77 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.869 108.4 51.6 -58.0 -36.4 11.0 17.5 13.7 177 482 A I H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.859 107.0 52.5 -72.5 -31.9 12.4 15.8 16.8 178 483 A T H X S+ 0 0 45 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.950 109.5 49.7 -62.7 -48.8 13.0 19.1 18.5 179 484 A D H X S+ 0 0 94 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.855 109.5 52.5 -53.8 -44.5 9.3 20.0 17.8 180 485 A T H X S+ 0 0 4 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.887 108.8 48.8 -59.4 -43.3 8.3 16.6 19.2 181 486 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.924 111.2 49.6 -66.8 -43.3 10.3 17.3 22.5 182 487 A I H X S+ 0 0 41 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.927 110.9 51.4 -60.1 -41.6 8.8 20.7 22.9 183 488 A H H X S+ 0 0 52 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.944 107.9 50.6 -61.6 -50.8 5.3 19.0 22.3 184 489 A L H X S+ 0 0 32 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.908 112.8 48.6 -48.7 -46.0 5.9 16.4 25.0 185 490 A M H <>S+ 0 0 2 -4,-2.2 5,-1.9 2,-0.2 3,-0.2 0.906 111.0 46.8 -68.1 -46.8 6.9 19.2 27.3 186 491 A A H ><5S+ 0 0 49 -4,-3.0 3,-1.6 1,-0.2 -1,-0.2 0.912 112.1 52.9 -58.9 -41.3 3.9 21.5 26.6 187 492 A K H 3<5S+ 0 0 163 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.776 103.2 57.8 -65.0 -27.4 1.7 18.4 27.0 188 493 A A T 3<5S- 0 0 73 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.400 123.2-105.0 -82.5 2.7 3.3 17.7 30.4 189 494 A G T < 5 + 0 0 62 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.512 67.3 151.2 90.0 5.7 2.3 21.2 31.6 190 495 A L < - 0 0 43 -5,-1.9 -1,-0.2 1,-0.1 -2,-0.1 -0.439 47.3-115.6 -71.7 140.9 5.6 23.0 31.5 191 496 A T > - 0 0 78 -2,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.253 33.1-104.7 -62.8 164.3 5.6 26.8 30.8 192 497 A L H > S+ 0 0 108 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.908 124.0 52.8 -59.3 -42.5 7.2 27.9 27.6 193 498 A Q H > S+ 0 0 126 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.927 109.7 47.3 -56.3 -47.3 10.2 29.1 29.6 194 499 A Q H > S+ 0 0 92 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.831 108.9 57.0 -68.2 -28.6 10.5 25.7 31.2 195 500 A Q H X S+ 0 0 15 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.944 110.2 40.9 -62.6 -52.0 10.2 24.1 27.8 196 501 A H H X S+ 0 0 108 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.869 116.4 52.2 -62.7 -40.2 13.2 26.0 26.3 197 502 A Q H X S+ 0 0 95 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.891 112.4 43.2 -65.2 -41.3 15.1 25.5 29.5 198 503 A R H X S+ 0 0 39 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.887 110.8 55.0 -75.4 -40.7 14.5 21.7 29.7 199 504 A L H X S+ 0 0 28 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.931 111.3 45.9 -51.0 -51.5 15.2 21.3 26.0 200 505 A A H X S+ 0 0 48 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.928 110.9 52.4 -62.3 -45.1 18.6 23.0 26.5 201 506 A Q H X S+ 0 0 71 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.875 111.5 47.1 -56.3 -42.7 19.4 20.9 29.6 202 507 A L H X S+ 0 0 0 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.896 113.2 46.6 -69.5 -43.8 18.7 17.7 27.8 203 508 A L H X S+ 0 0 65 -4,-2.3 4,-0.6 1,-0.2 3,-0.3 0.793 106.9 58.9 -67.3 -30.1 20.8 18.5 24.7 204 509 A L H >X S+ 0 0 119 -4,-2.1 4,-0.8 1,-0.2 3,-0.8 0.846 98.6 59.2 -71.7 -25.9 23.6 19.7 26.8 205 510 A I H 3X S+ 0 0 6 -4,-1.1 4,-2.0 1,-0.2 3,-0.4 0.831 93.4 67.1 -69.9 -27.9 23.8 16.3 28.3 206 511 A L H 3X S+ 0 0 19 -4,-0.8 4,-2.1 -3,-0.3 -1,-0.2 0.786 94.1 58.2 -62.2 -30.2 24.4 14.8 24.9 207 512 A S H < S+ 0 0 48 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.835 110.3 49.3 -72.1 -34.5 38.7 0.1 23.0 221 526 A Y H >< S+ 0 0 156 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.799 101.2 64.8 -70.7 -34.0 41.2 1.2 20.3 222 527 A S T 3< S+ 0 0 92 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.265 111.6 37.4 -69.5 12.3 43.9 0.5 22.8 223 528 A M T < S+ 0 0 92 -3,-0.9 2,-0.3 2,-0.1 -1,-0.3 -0.115 87.2 152.8-153.4 41.2 42.8 -3.2 22.6 224 529 A K < - 0 0 128 -3,-1.1 -3,-0.1 1,-0.1 2,-0.1 -0.587 43.4-118.6 -93.5 138.0 41.9 -3.7 18.9 225 530 A C - 0 0 97 -2,-0.3 3,-0.2 1,-0.1 -1,-0.1 -0.363 20.5-149.5 -64.4 149.6 42.0 -6.9 16.8 226 531 A K S S+ 0 0 99 1,-0.2 2,-2.4 -2,-0.1 -1,-0.1 0.941 84.1 36.4 -87.6 -80.6 44.4 -7.0 13.8 227 532 A N S S+ 0 0 119 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.071 96.3 125.1 -75.6 46.3 43.2 -9.2 10.9 228 533 A V S S- 0 0 76 -2,-2.4 3,-0.1 -3,-0.2 -4,-0.0 -0.720 71.5 -97.0-107.9 150.0 39.5 -8.2 11.5 229 534 A V - 0 0 62 -2,-0.3 5,-0.1 1,-0.1 -1,-0.1 -0.479 50.2-110.9 -54.3 122.7 36.8 -6.7 9.4 230 535 A P > - 0 0 72 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.176 24.3-114.3 -48.6 153.5 36.7 -2.9 10.0 231 536 A L H > S+ 0 0 51 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.897 118.3 57.7 -62.5 -42.8 33.6 -1.6 12.0 232 537 A Y H > S+ 0 0 63 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.935 108.5 48.4 -49.8 -46.7 32.4 0.3 8.9 233 538 A D H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.895 111.4 46.8 -65.5 -43.7 32.5 -3.1 7.1 234 539 A L H X S+ 0 0 79 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.910 115.7 47.9 -60.7 -45.7 30.5 -5.0 9.9 235 540 A L H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.931 110.3 51.3 -57.9 -49.5 28.0 -2.1 9.9 236 541 A L H X S+ 0 0 51 -4,-3.0 4,-3.2 -5,-0.2 -2,-0.2 0.953 110.5 48.4 -58.6 -49.9 27.7 -2.0 6.1 237 542 A E H < S+ 0 0 139 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.898 114.3 45.5 -57.1 -41.9 27.0 -5.8 6.0 238 543 A M H < S+ 0 0 37 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.874 119.5 41.1 -71.9 -37.2 24.4 -5.6 8.7 239 544 A L H < S+ 0 0 10 -4,-2.6 2,-2.7 -5,-0.2 -2,-0.2 0.869 96.0 81.2 -71.8 -37.7 22.7 -2.6 7.2 240 545 A D S < S+ 0 0 105 -4,-3.2 2,-0.2 -5,-0.2 -1,-0.2 -0.394 73.1 178.0 -77.6 69.2 23.0 -3.8 3.5 241 546 A A - 0 0 55 -2,-2.7 2,-0.1 -3,-0.1 -3,-0.1 -0.450 26.5-142.9 -78.0 143.3 19.9 -5.9 3.8 242 547 A H - 0 0 106 -2,-0.2 3,-0.1 1,-0.0 -1,-0.0 -0.431 16.2-132.9 -83.7 174.2 18.3 -8.0 1.1 243 548 A R S > S+ 0 0 229 -2,-0.1 3,-0.6 1,-0.1 -2,-0.0 -0.109 75.2 109.9-122.3 32.6 14.4 -8.3 1.0 244 549 A L T 3 + 0 0 138 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.706 69.3 64.4 -81.6 -25.6 14.3 -12.1 0.6 245 550 A H T 3 0 0 177 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 -0.137 360.0 360.0 -89.8 36.6 12.9 -12.5 4.2 246 551 A A < 0 0 135 -3,-0.6 -1,-0.2 0, 0.0 -2,-0.1 0.691 360.0 360.0 -79.6 360.0 9.6 -10.6 3.4