==== 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 1XPC . 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) . 13184.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 72.2 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 . 7 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 55.9 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 0 0 1 0 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 16 0, 0.0 8,-0.1 0, 0.0 57,-0.0 0.000 360.0 360.0 360.0 25.1 9.9 12.5 9.6 2 308 A L + 0 0 81 1,-0.1 3,-0.0 173,-0.0 170,-0.0 0.083 360.0 26.8-105.3 12.0 8.9 15.8 8.0 3 309 A S S S+ 0 0 118 2,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.216 94.6 108.6-148.9 -7.6 5.1 15.3 7.8 4 310 A L S S- 0 0 58 1,-0.1 2,-0.0 4,-0.1 0, 0.0 -0.534 73.0-119.7 -65.0 137.8 4.8 13.0 10.8 5 311 A T > - 0 0 66 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.237 24.3-105.4 -72.7 171.9 3.1 14.7 13.8 6 312 A A H > S+ 0 0 14 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.866 125.2 51.7 -65.5 -33.7 4.9 15.0 17.1 7 313 A D H > S+ 0 0 89 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.841 108.5 50.7 -71.6 -29.8 2.7 12.3 18.4 8 314 A Q H > S+ 0 0 104 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.760 108.0 52.6 -74.9 -33.8 3.6 10.0 15.5 9 315 A M H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.941 109.9 49.4 -66.9 -40.7 7.3 10.6 16.0 10 316 A V H X S+ 0 0 12 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.918 112.9 44.1 -72.6 -42.0 7.0 9.6 19.7 11 317 A S H X S+ 0 0 56 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.883 112.3 53.4 -72.7 -31.9 5.1 6.4 19.1 12 318 A A H X S+ 0 0 26 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.954 112.6 45.2 -61.0 -44.0 7.4 5.4 16.2 13 319 A L H < S+ 0 0 0 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.842 113.2 48.6 -66.1 -38.8 10.3 5.9 18.5 14 320 A L H >< S+ 0 0 70 -4,-2.3 3,-0.7 -5,-0.2 -1,-0.2 0.890 111.3 52.0 -68.1 -34.4 8.7 4.0 21.4 15 321 A D H 3< S+ 0 0 94 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.765 106.3 55.4 -70.5 -27.2 7.8 1.2 19.0 16 322 A A T 3< S+ 0 0 5 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.574 75.8 129.9 -86.0 -8.7 11.4 0.9 17.8 17 323 A E < - 0 0 68 -3,-0.7 -3,-0.0 -4,-0.5 34,-0.0 -0.123 56.2-124.3 -53.7 137.9 13.1 0.4 21.1 18 324 A P - 0 0 44 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.338 30.2 -96.9 -77.0 165.9 15.5 -2.5 21.3 19 325 A P - 0 0 71 0, 0.0 2,-0.7 0, 0.0 31,-0.1 -0.364 33.1-107.4 -78.3 160.8 15.1 -5.3 23.8 20 326 A I - 0 0 114 -2,-0.1 2,-0.2 79,-0.0 79,-0.1 -0.822 41.9-152.2 -87.8 117.1 17.0 -5.6 27.1 21 327 A L - 0 0 31 -2,-0.7 2,-0.3 77,-0.2 22,-0.0 -0.528 4.2-125.2 -92.2 158.5 19.6 -8.3 26.8 22 328 A Y - 0 0 135 -2,-0.2 2,-0.2 77,-0.2 -1,-0.0 -0.710 22.2-109.9-100.6 152.6 21.1 -10.6 29.4 23 329 A S - 0 0 7 -2,-0.3 2,-0.8 1,-0.1 17,-0.1 -0.541 30.0-131.2 -69.5 145.9 24.8 -11.2 30.2 24 330 A E + 0 0 143 15,-0.2 2,-0.3 -2,-0.2 -1,-0.1 -0.828 59.6 115.8-107.5 88.3 25.9 -14.6 29.2 25 331 A Y S S- 0 0 69 -2,-0.8 6,-0.0 9,-0.0 9,-0.0 -0.943 73.3-101.3-138.1 155.5 27.7 -16.2 32.2 26 332 A D > - 0 0 99 -2,-0.3 3,-1.8 1,-0.1 -2,-0.1 -0.729 27.0-158.7 -81.8 117.9 26.6 -19.3 34.0 27 333 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.421 90.0 66.3 -77.4 -0.9 24.9 -18.0 37.2 28 334 A T T 3 S+ 0 0 123 2,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.548 96.1 73.9 -91.2 -4.2 25.5 -21.4 38.8 29 335 A R S < S- 0 0 47 -3,-1.8 -4,-0.0 1,-0.2 0, 0.0 -0.663 91.3 -91.0-110.0 160.0 29.3 -20.7 38.7 30 336 A P - 0 0 85 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 -0.063 23.1-136.3 -65.3 170.6 31.5 -18.3 40.7 31 337 A F S > S+ 0 0 80 2,-0.1 3,-1.9 1,-0.1 -2,-0.0 0.678 91.3 75.4-100.4 -24.0 32.3 -14.7 39.7 32 338 A S T 3 S+ 0 0 127 1,-0.3 -1,-0.1 3,-0.0 0, 0.0 0.701 97.3 54.5 -62.4 -17.8 36.1 -14.6 40.3 33 339 A E T 3 S+ 0 0 155 -3,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.339 85.9 94.5 -96.5 -8.7 36.5 -16.6 37.1 34 340 A A S < S- 0 0 36 -3,-1.9 2,-0.7 -9,-0.0 3,-0.1 -0.811 75.1-127.9 -96.2 135.8 34.6 -14.4 34.7 35 341 A S > - 0 0 59 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 -0.731 16.3-157.0 -76.7 114.4 36.4 -11.8 32.6 36 342 A M H > S+ 0 0 17 -2,-0.7 4,-2.8 1,-0.2 5,-0.3 0.944 94.6 48.1 -59.6 -48.5 34.5 -8.6 33.4 37 343 A M H > S+ 0 0 19 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.838 110.9 51.1 -64.8 -29.1 35.7 -7.1 30.1 38 344 A G H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.918 111.8 47.7 -67.9 -44.2 34.8 -10.3 28.2 39 345 A L H X S+ 0 0 13 -4,-2.8 4,-2.0 2,-0.2 -15,-0.2 0.931 115.9 44.2 -57.4 -50.2 31.3 -10.2 29.7 40 346 A L H X S+ 0 0 20 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.914 113.9 49.7 -63.8 -44.3 30.9 -6.5 28.9 41 347 A T H X S+ 0 0 13 -4,-2.7 4,-2.6 -5,-0.3 5,-0.2 0.925 110.5 49.4 -65.1 -40.0 32.3 -6.9 25.3 42 348 A N H X S+ 0 0 93 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.927 111.8 49.4 -63.8 -42.5 30.0 -9.8 24.5 43 349 A L H X S+ 0 0 4 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.945 112.0 48.5 -56.5 -52.6 27.0 -7.9 25.8 44 350 A A H X S+ 0 0 26 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.886 109.3 51.7 -59.5 -42.2 28.0 -4.8 23.7 45 351 A D H X S+ 0 0 68 -4,-2.6 4,-1.0 -5,-0.2 -1,-0.2 0.923 110.9 48.7 -60.4 -39.8 28.5 -6.9 20.5 46 352 A R H X S+ 0 0 68 -4,-1.9 4,-1.1 -5,-0.2 3,-0.4 0.921 109.3 52.5 -68.8 -36.0 25.1 -8.4 21.0 47 353 A E H X S+ 0 0 40 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.840 98.8 65.5 -68.8 -31.8 23.4 -5.0 21.5 48 354 A L H X S+ 0 0 14 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.874 96.4 54.9 -60.3 -37.8 25.0 -3.7 18.3 49 355 A V H X S+ 0 0 73 -4,-1.0 4,-1.2 -3,-0.4 3,-0.3 0.957 111.3 44.5 -62.9 -45.9 22.9 -6.1 16.2 50 356 A H H X S+ 0 0 67 -4,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.816 105.3 63.6 -67.2 -30.5 19.7 -4.8 17.7 51 357 A M H X S+ 0 0 8 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.901 99.7 53.6 -61.5 -37.4 20.9 -1.2 17.4 52 358 A I H X S+ 0 0 3 -4,-1.7 4,-1.9 -3,-0.3 -1,-0.2 0.921 108.8 48.2 -63.0 -40.6 21.0 -1.6 13.6 53 359 A N H X S+ 0 0 84 -4,-1.2 4,-0.6 2,-0.2 -1,-0.2 0.921 112.3 49.6 -65.4 -41.2 17.4 -2.7 13.6 54 360 A W H >X S+ 0 0 6 -4,-2.3 3,-1.9 1,-0.2 4,-0.6 0.950 107.7 53.5 -59.8 -51.2 16.4 0.2 15.8 55 361 A A H >< S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.3 6,-0.2 0.881 102.4 58.2 -54.7 -39.6 18.2 2.7 13.6 56 362 A K H 3< S+ 0 0 72 -4,-1.9 6,-0.4 1,-0.3 -1,-0.3 0.755 106.3 50.5 -65.2 -20.7 16.3 1.5 10.6 57 363 A R H << S+ 0 0 143 -3,-1.9 -1,-0.3 -4,-0.6 -2,-0.2 0.506 81.6 106.5 -97.4 -4.6 13.1 2.4 12.4 58 364 A V S X< S- 0 0 3 -3,-1.4 3,-1.9 -4,-0.6 4,-0.5 -0.672 88.6-102.4 -67.9 122.9 14.1 5.9 13.4 59 365 A P T 3 S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.271 103.0 11.5 -50.1 127.4 12.1 8.2 11.1 60 366 A G T > S+ 0 0 7 -4,-0.1 3,-0.9 4,-0.0 4,-0.4 -0.001 97.9 102.9 93.2 -23.8 14.2 9.4 8.2 61 367 A F G X S+ 0 0 0 -3,-1.9 3,-1.8 1,-0.2 -5,-0.1 0.927 79.3 47.7 -61.1 -46.3 17.2 7.2 8.7 62 368 A V G 3 S+ 0 0 75 -4,-0.5 -1,-0.2 -6,-0.4 -6,-0.1 0.572 96.8 72.1 -80.4 -1.0 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 0.668 85.8 88.5 -81.8 -10.7 15.9 7.4 3.5 64 370 A L S < S- 0 0 8 -3,-1.8 -4,-0.0 -4,-0.4 -3,-0.0 -0.384 94.0 -92.9 -74.0 158.7 19.7 8.1 3.7 65 371 A T > - 0 0 34 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.284 36.0-112.6 -63.7 161.3 22.2 6.3 1.4 66 372 A L H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.934 117.4 55.5 -65.6 -39.8 23.8 3.1 2.8 67 373 A H H > S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.930 108.7 46.7 -54.9 -44.8 27.1 4.8 3.1 68 374 A D H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.881 109.6 53.8 -70.9 -36.0 25.7 7.6 5.2 69 375 A Q H X S+ 0 0 18 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.929 109.5 48.7 -59.1 -44.5 23.9 5.2 7.4 70 376 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.948 110.9 50.7 -61.7 -45.5 27.1 3.3 8.0 71 377 A H H X S+ 0 0 30 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.922 109.8 48.8 -57.7 -46.8 29.0 6.6 8.8 72 378 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.941 114.7 44.2 -61.8 -47.2 26.4 7.8 11.3 73 379 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.857 110.1 55.9 -67.2 -33.5 26.3 4.5 13.2 74 380 A E H < S+ 0 0 73 -4,-2.6 4,-0.2 -5,-0.3 -1,-0.2 0.895 113.7 42.3 -65.0 -34.4 30.1 4.2 13.1 75 381 A C H < S+ 0 0 43 -4,-1.9 4,-0.3 -5,-0.2 -1,-0.2 0.826 124.8 31.9 -73.4 -34.9 30.3 7.6 14.8 76 382 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 5,-0.2 0.556 81.7 101.4-109.0 -7.1 27.5 7.1 17.3 77 383 A W H X S+ 0 0 44 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.839 88.6 44.4 -58.4 -38.1 27.4 3.5 18.4 78 384 A L H > S+ 0 0 15 -4,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.906 112.9 50.6 -75.1 -36.3 29.2 3.9 21.7 79 385 A E H > S+ 0 0 2 -4,-0.3 4,-2.9 2,-0.2 5,-0.3 0.917 111.9 50.9 -56.5 -42.0 27.2 7.1 22.6 80 386 A I H X S+ 0 0 7 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.939 111.3 45.5 -67.0 -47.0 24.1 5.1 21.8 81 387 A L H X S+ 0 0 18 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.943 114.9 49.4 -55.8 -47.0 25.1 2.1 24.0 82 388 A M H X S+ 0 0 14 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.925 108.3 49.6 -67.4 -41.6 26.1 4.4 26.9 83 389 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.896 112.2 50.7 -64.1 -34.2 22.9 6.5 26.9 84 390 A G H X S+ 0 0 12 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.940 110.2 50.0 -64.7 -41.0 21.0 3.3 27.0 85 391 A L H X S+ 0 0 9 -4,-2.4 4,-1.1 1,-0.2 12,-0.5 0.914 111.4 46.9 -63.6 -43.1 23.1 2.1 29.9 86 392 A V H X S+ 0 0 0 -4,-2.6 4,-0.6 2,-0.2 -1,-0.2 0.903 110.8 54.4 -67.4 -34.6 22.6 5.3 31.9 87 393 A W H >< S+ 0 0 74 -4,-2.3 3,-1.2 -5,-0.3 4,-0.3 0.956 111.0 42.2 -64.5 -48.3 18.9 5.2 31.2 88 394 A R H 3< S+ 0 0 50 -4,-2.4 3,-0.2 1,-0.2 -1,-0.2 0.707 113.3 55.8 -78.5 -7.6 18.4 1.7 32.5 89 395 A S H >< S+ 0 0 0 -4,-1.1 3,-2.0 -5,-0.2 6,-0.3 0.524 81.0 94.8 -89.7 -7.9 20.7 2.5 35.5 90 396 A M T << S+ 0 0 18 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.1 0.837 83.7 46.7 -56.2 -41.0 18.6 5.5 36.6 91 397 A E T 3 S+ 0 0 170 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.282 102.8 72.3 -86.3 13.0 16.5 3.8 39.1 92 398 A H S X S- 0 0 64 -3,-2.0 3,-2.4 3,-0.2 -1,-0.2 -0.568 77.4-152.3-128.7 68.1 19.6 2.1 40.6 93 399 A P T 3 S+ 0 0 83 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.072 79.7 9.3 -45.2 129.6 21.6 4.8 42.5 94 400 A G T 3 S+ 0 0 47 29,-0.2 12,-0.5 1,-0.2 2,-0.3 0.435 115.0 88.7 79.1 -0.2 25.4 4.0 42.6 95 401 A K E < -A 105 0A 90 -3,-2.4 2,-0.5 -6,-0.3 10,-0.2 -0.932 66.3-137.1-131.8 155.4 25.1 1.1 40.2 96 402 A L E -A 104 0A 0 8,-3.2 8,-2.2 -2,-0.3 2,-1.5 -0.960 14.7-148.9-109.5 122.6 25.3 0.5 36.4 97 403 A L E +A 103 0A 25 -2,-0.5 6,-0.2 -12,-0.5 -9,-0.1 -0.674 28.4 164.2 -89.6 77.4 22.6 -2.0 35.1 98 404 A F E S- 0 0 25 -2,-1.5 -1,-0.2 4,-1.2 5,-0.2 0.913 76.6 -13.9 -61.1 -42.1 24.6 -3.4 32.2 99 405 A A E > S-A 102 0A 0 3,-1.5 3,-2.5 -3,-0.2 -1,-0.2 -0.956 77.8 -98.6-149.6 161.6 22.0 -6.2 32.1 100 406 A P T 3 S+ 0 0 59 0, 0.0 3,-0.1 0, 0.0 -78,-0.1 0.763 128.6 40.9 -55.4 -27.0 19.3 -7.4 34.5 101 407 A N T 3 S+ 0 0 41 1,-0.2 2,-0.1 -4,-0.0 -79,-0.1 -0.031 111.6 61.1-107.8 23.2 21.7 -10.1 35.7 102 408 A L E < +A 99 0A 5 -3,-2.5 -3,-1.5 2,-0.0 -4,-1.2 -0.575 57.9 160.1-153.5 83.9 24.8 -7.8 35.7 103 409 A L E -A 97 0A 62 -6,-0.2 2,-0.4 -5,-0.2 -6,-0.2 -0.952 19.5-172.1-109.7 111.5 24.5 -4.9 38.1 104 410 A L E -A 96 0A 2 -8,-2.2 -8,-3.2 -2,-0.6 2,-0.1 -0.860 14.9-154.8-116.7 136.4 27.9 -3.4 39.0 105 411 A D E >> -A 95 0A 57 -2,-0.4 4,-0.6 -10,-0.2 3,-0.5 -0.429 42.4 -93.9 -90.8 177.6 29.1 -0.7 41.4 106 412 A R H >> S+ 0 0 99 -12,-0.5 3,-1.6 1,-0.2 4,-1.3 0.910 122.8 59.6 -67.8 -35.9 32.2 1.4 41.1 107 413 A N H 34 S+ 0 0 95 1,-0.3 4,-0.4 2,-0.2 3,-0.3 0.871 101.3 56.5 -62.9 -28.7 34.4 -1.0 43.1 108 414 A Q H <4 S+ 0 0 58 -3,-0.5 -1,-0.3 1,-0.2 3,-0.3 0.676 102.5 57.1 -70.0 -15.6 33.5 -3.8 40.6 109 415 A G H X< S+ 0 0 0 -3,-1.6 3,-2.6 -4,-0.6 7,-0.4 0.804 88.1 70.9 -86.2 -25.6 34.9 -1.5 37.8 110 416 A K T 3< S+ 0 0 114 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.772 77.0 86.7 -58.3 -23.5 38.3 -1.2 39.5 111 417 A C T 3 S+ 0 0 90 -4,-0.4 2,-0.4 -3,-0.3 -1,-0.3 0.646 89.6 52.9 -41.7 -29.0 38.5 -4.8 38.4 112 418 A V S X> S- 0 0 23 -3,-2.6 3,-2.8 -76,-0.1 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104.7 56.8 -91.3 -0.5 29.7 17.2 10.6 154 460 A T < + 0 0 82 -3,-1.4 -1,-0.2 -83,-0.0 -2,-0.2 0.357 62.5 126.5-119.6 11.6 32.3 14.7 9.3 155 461 A F - 0 0 15 -3,-0.4 -87,-0.0 -4,-0.3 -3,-0.0 -0.536 56.0-142.3 -59.4 134.5 31.0 13.5 6.0 156 462 A L + 0 0 160 -2,-0.1 -1,-0.2 2,-0.0 0, 0.0 0.999 68.3 54.9 -56.2 -74.3 34.0 14.2 3.7 157 463 A S - 0 0 58 -3,-0.1 -2,-0.0 1,-0.1 0, 0.0 0.560 54.1-155.9 -54.5-169.0 32.3 15.3 0.6 158 464 A S + 0 0 73 5,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.171 39.0 152.2-175.6 37.9 29.9 17.9 -0.5 159 465 A T > - 0 0 72 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.273 65.3-100.7 -60.7 167.5 28.7 16.2 -3.6 160 466 A L H > S+ 0 0 125 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.935 127.9 51.4 -61.4 -42.7 25.1 17.3 -4.5 161 467 A K H > S+ 0 0 133 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.932 108.9 50.7 -55.0 -47.3 23.9 14.0 -2.9 162 468 A S H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.897 109.3 49.6 -63.5 -40.6 25.9 14.7 0.2 163 469 A L H X S+ 0 0 83 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.940 111.0 50.6 -66.0 -40.2 24.5 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490 A M H <>S+ 0 0 3 -4,-1.9 5,-2.0 2,-0.2 4,-0.2 0.913 111.9 49.1 -71.8 -42.5 7.1 19.3 27.5 185 491 A A H ><5S+ 0 0 45 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.907 108.0 54.7 -58.7 -47.5 4.1 21.5 26.7 186 492 A K H 3<5S+ 0 0 130 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.847 104.7 55.1 -56.8 -34.3 1.8 18.4 27.0 187 493 A A T 3<5S- 0 0 76 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.544 120.2-115.1 -77.2 -10.5 3.4 18.0 30.5 188 494 A G T < 5 + 0 0 58 -3,-1.7 -3,-0.2 -4,-0.2 2,-0.2 0.765 60.3 152.7 84.4 20.4 2.4 21.5 31.3 189 495 A L < - 0 0 52 -5,-2.0 -1,-0.2 1,-0.1 -2,-0.0 -0.505 49.2-107.0 -71.3 149.3 5.8 23.1 31.7 190 496 A T > - 0 0 75 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.322 30.5-100.0 -67.7 166.2 5.7 26.9 30.8 191 497 A L H > S+ 0 0 135 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.926 126.9 49.0 -47.2 -51.3 7.3 28.3 27.7 192 498 A Q H > S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.934 110.6 48.0 -60.7 -46.5 10.3 29.3 29.8 193 499 A Q H > S+ 0 0 92 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.841 107.9 59.2 -65.8 -27.5 10.6 25.8 31.4 194 500 A Q H 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S+ 0 0 9 -4,-1.2 4,-2.0 1,-0.3 3,-0.5 0.880 93.3 67.1 -63.3 -28.8 23.9 16.3 28.5 205 511 A L H 3X S+ 0 0 19 -4,-0.9 4,-1.9 -3,-0.3 -1,-0.3 0.765 94.0 57.2 -60.7 -24.2 24.6 15.0 25.0 206 512 A S H <> S+ 0 0 77 -3,-1.2 4,-2.0 -4,-0.5 -1,-0.3 0.884 106.2 49.1 -72.0 -36.0 27.9 16.8 25.1 207 513 A H H < S+ 0 0 38 -4,-3.3 2,-3.3 1,-0.3 3,-1.6 0.930 95.2 72.5 -60.8 -42.5 38.9 0.5 24.7 220 526 A Y T 3< S+ 0 0 158 -4,-2.6 -1,-0.3 1,-0.3 -4,-0.1 -0.236 92.9 56.3 -69.5 58.1 41.8 0.9 22.2 221 527 A S T 3 S+ 0 0 81 -2,-3.3 -1,-0.3 -3,-0.2 2,-0.2 0.308 101.3 50.1-168.1 12.2 44.3 -0.6 24.6 222 528 A M S < S- 0 0 79 -3,-1.6 3,-0.1 3,-0.1 -3,-0.0 -0.408 95.7 -81.3-133.0-149.7 42.9 -4.0 25.4 223 529 A K S S+ 0 0 130 -2,-0.2 3,-0.1 1,-0.1 -4,-0.0 0.794 77.0 120.7 -94.4 -33.9 41.6 -7.1 23.7 224 530 A C S S- 0 0 34 1,-0.1 2,-0.2 -5,-0.1 -1,-0.1 0.339 79.0 -71.4 -1.0 -74.3 37.9 -6.1 23.0 225 531 A K + 0 0 124 -6,-0.1 -1,-0.1 -3,-0.1 -3,-0.1 -0.632 56.5 152.7 163.6 143.8 37.9 -6.4 19.1 226 532 A N + 0 0 111 -2,-0.2 2,-0.4 -3,-0.1 -2,-0.1 0.016 39.0 131.6-171.4 22.7 39.2 -4.7 16.0 227 533 A V S S+ 0 0 105 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.764 78.5 10.8 -84.0 133.0 39.3 -7.6 13.6 228 534 A V S S- 0 0 90 -2,-0.4 -1,-0.2 4,-0.1 5,-0.1 0.800 109.4 -91.9 51.8 113.4 37.6 -6.6 10.4 229 535 A P > - 0 0 68 0, 0.0 4,-1.2 0, 0.0 3,-0.4 -0.141 32.0-113.9 -52.0 150.5 37.1 -2.8 10.7 230 536 A L H > S+ 0 0 41 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.847 111.0 63.7 -55.7 -42.8 33.8 -1.6 12.2 231 537 A Y H > S+ 0 0 66 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.906 103.7 46.5 -49.8 -49.6 32.7 0.0 8.9 232 538 A D H > S+ 0 0 72 -3,-0.4 4,-2.2 2,-0.2 -1,-0.3 0.863 112.0 49.9 -67.3 -36.7 32.6 -3.3 7.0 233 539 A L H X S+ 0 0 64 -4,-1.2 4,-1.7 -3,-0.3 -1,-0.2 0.908 114.0 46.0 -67.9 -44.5 30.7 -5.1 9.9 234 540 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.898 110.4 54.2 -59.7 -41.2 28.2 -2.3 10.0 235 541 A L H X S+ 0 0 56 -4,-2.7 4,-3.5 -5,-0.3 -2,-0.2 0.949 106.9 50.4 -65.2 -41.1 27.9 -2.3 6.2 236 542 A E H < S+ 0 0 151 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.904 114.0 45.1 -59.4 -40.7 27.1 -6.0 6.2 237 543 A M H < S+ 0 0 43 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.869 120.0 39.0 -70.7 -44.3 24.4 -5.6 8.8 238 544 A L H < S+ 0 0 10 -4,-2.7 2,-2.2 1,-0.2 -2,-0.2 0.796 100.7 74.3 -76.8 -35.0 22.8 -2.5 7.2 239 545 A D S < S+ 0 0 104 -4,-3.5 2,-0.2 -5,-0.3 -1,-0.2 -0.439 74.1 165.1 -80.3 67.6 23.2 -3.7 3.5 240 546 A A - 0 0 59 -2,-2.2 -3,-0.1 -3,-0.1 2,-0.1 -0.472 34.2-132.6 -88.8 149.3 20.4 -6.3 3.8 241 547 A H - 0 0 109 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.384 16.7-129.0 -80.7-177.2 18.6 -8.0 1.0 242 548 A R S > S+ 0 0 230 1,-0.1 3,-1.0 -2,-0.1 -1,-0.1 0.013 78.2 107.1-118.9 27.2 14.8 -8.1 1.0 243 549 A L T 3 S+ 0 0 137 1,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.826 71.0 60.8 -73.5 -32.3 14.5 -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 0.125 360.0 360.0 -85.9 23.7 13.4 -12.6 4.1 245 551 A A < 0 0 129 -3,-1.0 -1,-0.2 0, 0.0 -2,-0.1 0.948 360.0 360.0 -67.2 360.0 10.4 -10.4 3.4