==== 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 TRANSCRIPTION 12-AUG-07 2QXM . COMPND 2 MOLECULE: ESTROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.W.NETTLES,J.B.BRUNING,G.GIL,J.NOWAK,S.K.SHARMA,J.B.HAHM,Y. . 496 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21059.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 74.2 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 . 11 2.2 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 291 58.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 0 2 0 0 1 1 0 2 0 0 2 0 0 0 2 0 0 0 0 0 5 0 1 0 0 0 2 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 1 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 . 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 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 1 305 A S 0 0 80 0, 0.0 3,-0.4 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -42.8 27.9 -19.5 2.4 2 306 A L > + 0 0 74 1,-0.2 3,-1.0 2,-0.2 4,-0.4 0.780 360.0 57.5 -65.2 -30.0 29.4 -17.2 -0.2 3 307 A A G > S+ 0 0 3 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.825 103.1 54.4 -68.7 -33.2 27.6 -14.1 1.3 4 308 A L G 3 S+ 0 0 56 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.360 106.8 53.2 -83.6 4.6 29.3 -14.8 4.6 5 309 A S G < S+ 0 0 93 -3,-1.0 -1,-0.2 2,-0.1 -2,-0.2 0.461 84.4 106.1-115.4 -3.1 32.7 -14.8 2.9 6 310 A L < - 0 0 40 -3,-0.6 2,-0.1 -4,-0.4 -3,-0.0 -0.394 66.9-124.6 -71.8 149.4 32.5 -11.4 1.2 7 311 A T > - 0 0 68 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.387 28.7-100.6 -84.8 171.5 34.4 -8.5 2.5 8 312 A A H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.947 126.6 39.2 -52.1 -51.2 32.9 -5.1 3.4 9 313 A D H > S+ 0 0 69 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.853 114.2 52.4 -73.8 -35.2 34.1 -3.7 0.0 10 314 A Q H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.856 108.9 52.5 -64.6 -35.9 33.2 -6.8 -2.0 11 315 A M H X S+ 0 0 2 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.975 113.3 43.6 -58.6 -58.0 29.7 -6.6 -0.4 12 316 A V H >X S+ 0 0 9 -4,-2.2 4,-2.2 1,-0.2 3,-0.6 0.906 113.2 50.1 -53.7 -47.5 29.4 -3.0 -1.5 13 317 A S H 3X S+ 0 0 59 -4,-3.2 4,-1.3 1,-0.2 -1,-0.2 0.880 108.3 53.7 -66.6 -30.5 30.8 -3.6 -5.0 14 318 A A H 3X S+ 0 0 31 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.750 111.2 45.7 -70.6 -24.3 28.4 -6.5 -5.6 15 319 A L H - 0 0 67 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.583 35.7-109.1 -86.6 165.1 -6.5 12.3 -16.1 33 339 A E H > S+ 0 0 80 -2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.973 125.0 46.5 -53.7 -52.3 -6.7 10.4 -12.8 34 340 A A H > S+ 0 0 44 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.835 112.1 51.0 -59.2 -35.7 -6.7 7.3 -14.9 35 341 A S H > S+ 0 0 40 2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.889 109.4 48.7 -72.2 -42.1 -3.8 8.5 -17.0 36 342 A M H X S+ 0 0 34 -4,-2.5 4,-1.6 2,-0.2 3,-0.4 0.975 114.1 43.6 -62.3 -58.9 -1.5 9.4 -14.1 37 343 A M H X S+ 0 0 16 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.805 107.5 63.4 -59.9 -31.6 -1.9 6.1 -12.2 38 344 A G H X S+ 0 0 24 -4,-1.3 4,-3.1 -5,-0.3 5,-0.3 0.960 103.8 46.1 -53.4 -52.5 -1.5 4.3 -15.5 39 345 A L H X S+ 0 0 29 -4,-1.7 4,-2.7 -3,-0.4 -2,-0.2 0.867 113.8 49.6 -61.1 -37.8 2.0 5.6 -15.8 40 346 A L H X S+ 0 0 21 -4,-1.6 4,-3.3 2,-0.2 -1,-0.2 0.939 116.6 38.9 -69.2 -48.2 2.8 4.8 -12.2 41 347 A T H X S+ 0 0 12 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.817 116.5 51.6 -73.2 -35.3 1.5 1.2 -12.3 42 348 A N H X S+ 0 0 65 -4,-3.1 4,-2.0 -5,-0.3 -2,-0.2 0.956 114.9 44.5 -58.6 -50.4 2.9 0.7 -15.9 43 349 A L H X S+ 0 0 5 -4,-2.7 4,-2.7 -5,-0.3 -2,-0.2 0.958 113.6 49.6 -57.2 -53.4 6.2 2.0 -14.5 44 350 A A H X S+ 0 0 14 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.925 107.1 54.8 -55.7 -47.4 6.0 -0.1 -11.4 45 351 A D H >X S+ 0 0 41 -4,-2.5 4,-1.6 1,-0.2 3,-0.7 0.951 110.8 44.8 -52.4 -50.5 5.2 -3.3 -13.3 46 352 A R H 3X S+ 0 0 66 -4,-2.0 4,-1.5 1,-0.3 -1,-0.2 0.923 111.0 54.3 -63.4 -40.0 8.3 -2.8 -15.5 47 353 A E H 3X S+ 0 0 32 -4,-2.7 4,-2.0 1,-0.2 -1,-0.3 0.752 102.1 59.8 -63.0 -26.3 10.3 -2.1 -12.4 48 354 A L H < S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.3 6,-0.2 0.918 102.0 54.4 -67.9 -39.1 17.2 -9.7 -5.7 56 362 A K H 3< S+ 0 0 40 -4,-1.5 6,-0.3 1,-0.3 -1,-0.3 0.750 108.9 49.6 -67.1 -19.7 18.8 -12.7 -7.2 57 363 A R T 3< S+ 0 0 151 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.265 82.5 106.3-102.3 10.2 22.1 -10.7 -7.2 58 364 A V S X S- 0 0 0 -3,-1.9 3,-2.8 -40,-0.1 4,-0.3 -0.836 87.6-109.2 -84.8 111.5 21.6 -9.7 -3.6 59 365 A P T 3 S+ 0 0 22 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.043 102.0 20.4 -47.8 135.8 24.3 -11.8 -1.9 60 366 A G T > S+ 0 0 6 -4,-0.1 3,-0.7 4,-0.0 4,-0.3 -0.008 98.8 97.2 97.3 -26.7 22.6 -14.5 0.2 61 367 A F G X S+ 0 0 0 -3,-2.8 3,-1.2 1,-0.3 -5,-0.1 0.854 79.7 49.5 -70.4 -37.7 19.3 -14.4 -1.6 62 368 A V G 3 S+ 0 0 85 -4,-0.3 -1,-0.3 -6,-0.3 -6,-0.1 0.624 96.4 74.6 -77.6 -11.7 19.8 -17.3 -4.1 63 369 A D G < S+ 0 0 72 -3,-0.7 -1,-0.2 2,-0.0 -2,-0.2 0.681 88.3 79.6 -68.2 -17.7 20.9 -19.4 -1.1 64 370 A L S < S- 0 0 9 -3,-1.2 2,-0.1 -4,-0.3 5,-0.0 -0.433 89.5 -99.2 -91.8 164.2 17.2 -19.6 -0.1 65 371 A T > - 0 0 49 -2,-0.1 4,-1.5 1,-0.1 3,-0.4 -0.320 34.3-110.2 -76.8 166.3 14.4 -21.7 -1.4 66 372 A L H > S+ 0 0 49 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.785 116.1 59.7 -71.9 -31.3 11.9 -20.3 -3.9 67 373 A H H > S+ 0 0 132 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.887 110.3 45.3 -59.1 -36.9 9.0 -20.3 -1.5 68 374 A D H > S+ 0 0 21 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.765 110.2 48.9 -86.9 -29.4 11.1 -18.0 0.6 69 375 A Q H X S+ 0 0 9 -4,-1.5 4,-3.0 2,-0.2 5,-0.2 0.911 113.9 50.0 -70.4 -44.0 12.3 -15.6 -2.2 70 376 A V H X S+ 0 0 14 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.951 113.0 45.5 -53.6 -55.1 8.7 -15.4 -3.3 71 377 A H H X S+ 0 0 37 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.911 113.8 49.0 -59.9 -44.3 7.6 -14.6 0.2 72 378 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.919 116.2 42.7 -63.0 -44.7 10.4 -12.1 0.7 73 379 A L H X S+ 0 0 3 -4,-3.0 4,-1.6 2,-0.2 -2,-0.2 0.815 110.4 56.5 -69.3 -35.5 9.7 -10.3 -2.6 74 380 A E H < S+ 0 0 38 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.810 115.9 38.2 -65.0 -28.6 5.9 -10.5 -1.9 75 381 A C H < S+ 0 0 16 -4,-1.6 4,-0.3 -5,-0.2 -2,-0.2 0.857 123.9 36.8 -88.3 -37.3 6.5 -8.6 1.3 76 382 A A H >X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 3,-0.6 0.613 84.5 98.6 -90.9 -16.4 9.2 -6.2 0.3 77 383 A W H 3X S+ 0 0 5 -4,-1.6 4,-2.2 1,-0.3 -1,-0.2 0.820 87.6 40.3 -55.1 -44.0 8.3 -5.2 -3.2 78 384 A L H 3> S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.834 113.3 55.1 -78.9 -29.1 6.5 -1.9 -2.6 79 385 A E H <> S+ 0 0 2 -3,-0.6 4,-2.5 -4,-0.3 5,-0.2 0.936 108.2 50.6 -57.6 -50.6 9.0 -0.9 0.1 80 386 A I H X S+ 0 0 9 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.944 109.6 49.5 -53.0 -55.7 11.8 -1.4 -2.5 81 387 A L H >X S+ 0 0 23 -4,-2.2 4,-2.2 -5,-0.2 3,-0.6 0.935 112.0 49.0 -50.3 -48.6 10.0 0.7 -5.1 82 388 A M H 3X S+ 0 0 16 -4,-2.2 4,-3.1 1,-0.3 -2,-0.2 0.887 107.4 51.1 -66.2 -42.2 9.5 3.5 -2.6 83 389 A I H 3X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.3 0.705 110.4 53.7 -68.3 -19.4 13.1 3.8 -1.3 84 390 A G H < S+ 0 0 0 -4,-2.2 3,-2.9 -5,-0.2 6,-0.3 0.705 81.5 97.4 -85.2 -21.4 14.1 12.2 -5.6 90 396 A M T 3< S+ 0 0 24 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.826 84.9 43.5 -33.8 -63.5 16.6 13.3 -3.0 91 397 A E T 3 S+ 0 0 156 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.150 101.7 73.2 -83.9 22.2 18.3 16.0 -5.0 92 398 A H S X S- 0 0 52 -3,-2.9 3,-1.9 3,-0.2 -1,-0.2 -0.469 80.8-152.0-127.0 61.5 15.0 17.4 -6.3 93 399 A P T 3 S+ 0 0 80 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.032 79.2 11.8 -45.7 118.2 13.6 19.1 -3.2 94 400 A G T 3 S+ 0 0 39 1,-0.3 12,-0.5 25,-0.2 2,-0.3 0.575 114.5 89.0 93.3 11.0 9.8 19.1 -3.4 95 401 A K < - 0 0 87 -3,-1.9 2,-0.6 -6,-0.3 -1,-0.3 -0.991 65.8-136.4-139.7 149.5 9.5 16.7 -6.2 96 402 A L E -A 104 0A 0 8,-3.1 8,-2.0 -2,-0.3 2,-1.7 -0.920 13.3-152.1-105.0 114.1 9.3 12.9 -6.8 97 403 A L E +A 103 0A 21 -2,-0.6 6,-0.2 -12,-0.4 -9,-0.1 -0.618 27.7 163.4 -81.0 78.5 11.4 11.6 -9.7 98 404 A F E S- 0 0 21 -2,-1.7 -1,-0.2 4,-1.4 5,-0.2 0.915 78.1 -19.1 -63.4 -43.8 9.3 8.6 -10.6 99 405 A A E > S-A 102 0A 0 3,-2.0 3,-1.0 -3,-0.3 -1,-0.3 -0.933 77.1 -95.1-146.1 170.1 11.2 8.6 -13.9 100 406 A P T 3 S+ 0 0 54 0, 0.0 3,-0.1 0, 0.0 -76,-0.1 0.805 129.4 39.8 -54.0 -31.7 13.3 11.2 -15.7 101 407 A N T 3 S+ 0 0 55 1,-0.2 2,-0.4 -4,-0.0 -77,-0.1 0.444 113.6 59.9 -94.9 -1.9 10.2 12.2 -17.8 102 408 A L E < +A 99 0A 4 -3,-1.0 -3,-2.0 2,-0.1 -4,-1.4 -0.823 60.3 151.9-134.7 85.8 7.9 11.9 -14.8 103 409 A L E -A 97 0A 66 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.949 23.7-177.6-125.5 105.3 8.9 14.4 -12.1 104 410 A L E -A 96 0A 29 -8,-2.0 -8,-3.1 -2,-0.5 2,-0.2 -0.732 17.6-158.7-117.4 152.1 6.0 15.5 -10.1 105 411 A D - 0 0 85 -2,-0.3 2,-1.2 -10,-0.2 -10,-0.1 -0.676 38.7-100.9-116.0 172.7 5.2 17.8 -7.2 106 412 A R 0 0 49 -12,-0.5 -11,-0.0 -2,-0.2 -2,-0.0 -0.679 360.0 360.0 -93.0 78.3 2.3 17.9 -4.7 107 413 A N 0 0 129 -2,-1.2 -1,-0.1 0, 0.0 -3,-0.0 0.432 360.0 360.0-116.7 360.0 0.5 20.6 -6.6 108 ! 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 0.0 109 419 A E 0 0 93 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.4 -7.5 10.6 -4.8 110 420 A G >> + 0 0 35 1,-0.0 4,-0.6 4,-0.0 3,-0.5 0.216 360.0 103.5 94.3 -12.8 -5.8 10.0 -1.5 111 421 A M H 3> + 0 0 49 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.588 59.9 81.5 -83.0 -8.6 -2.3 9.7 -2.7 112 422 A V H 3> S+ 0 0 83 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.893 89.9 50.8 -62.4 -41.7 -1.3 13.2 -1.5 113 423 A E H <> S+ 0 0 72 -3,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.915 113.6 46.4 -61.3 -43.0 -0.7 12.0 2.1 114 424 A I H X S+ 0 0 15 -4,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.932 111.1 52.1 -62.4 -45.9 1.5 9.2 0.7 115 425 A F H X S+ 0 0 17 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.892 107.0 53.4 -56.5 -46.2 3.3 11.8 -1.6 116 426 A D H X S+ 0 0 89 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.846 109.1 49.2 -59.7 -37.5 3.9 14.0 1.4 117 427 A M H X S+ 0 0 20 -4,-1.5 4,-2.9 -3,-0.2 -2,-0.2 0.923 109.9 49.2 -69.1 -46.1 5.6 11.1 3.3 118 428 A L H X S+ 0 0 6 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.892 112.0 50.1 -61.6 -42.2 7.8 10.1 0.4 119 429 A L H X S+ 0 0 23 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.894 110.2 49.4 -61.4 -41.6 8.9 13.7 0.1 120 430 A A H X S+ 0 0 25 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.948 108.9 52.9 -64.7 -41.9 9.6 13.9 3.8 121 431 A T H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.904 111.3 46.7 -57.5 -41.8 11.7 10.7 3.5 122 432 A S H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.849 108.7 54.4 -70.5 -34.7 13.6 12.3 0.7 123 433 A S H X S+ 0 0 55 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.927 110.5 48.6 -62.3 -40.8 14.0 15.4 2.8 124 434 A R H X S+ 0 0 36 -4,-2.9 4,-1.9 2,-0.2 5,-0.3 0.976 109.4 48.5 -59.9 -60.4 15.5 13.2 5.5 125 435 A F H X>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 4,-0.9 0.898 114.5 49.5 -47.6 -45.1 17.9 11.3 3.2 126 436 A R H ><5S+ 0 0 72 -4,-2.2 3,-1.0 2,-0.2 -1,-0.2 0.958 108.5 49.9 -56.6 -54.7 19.0 14.7 1.9 127 437 A M H 3<5S+ 0 0 149 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.716 118.1 41.9 -62.1 -19.9 19.4 16.2 5.4 128 438 A M H 3<5S- 0 0 18 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.545 106.1-132.4 -96.2 -14.9 21.5 13.1 6.2 129 439 A N T <<5 - 0 0 103 -3,-1.0 -3,-0.2 -4,-0.9 -4,-0.1 0.987 27.0-148.4 56.0 60.2 23.3 13.2 2.9 130 440 A L < - 0 0 4 -5,-2.0 2,-0.2 -6,-0.1 -1,-0.1 -0.357 7.3-135.6 -60.5 137.1 22.7 9.5 2.3 131 441 A Q > - 0 0 79 1,-0.1 4,-2.2 -3,-0.1 5,-0.1 -0.610 13.8-120.7 -94.4 156.5 25.4 7.9 0.3 132 442 A G H > S+ 0 0 19 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.922 115.3 52.3 -60.3 -48.8 24.8 5.4 -2.6 133 443 A E H > S+ 0 0 79 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.837 112.0 48.9 -53.7 -37.1 26.8 2.6 -0.9 134 444 A E H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.884 108.1 53.6 -69.9 -40.4 24.6 3.3 2.1 135 445 A F H X S+ 0 0 5 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.856 106.8 49.6 -65.0 -37.4 21.4 3.2 0.0 136 446 A V H X S+ 0 0 1 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.842 110.5 51.7 -76.6 -30.6 22.1 -0.2 -1.6 137 447 A C H X S+ 0 0 0 -4,-1.1 4,-2.4 -5,-0.2 -2,-0.2 0.921 110.1 48.0 -64.5 -48.3 22.8 -1.7 1.8 138 448 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.815 110.0 54.8 -59.6 -33.2 19.5 -0.3 3.2 139 449 A K H X S+ 0 0 9 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.852 108.7 45.3 -74.6 -35.9 17.8 -1.7 0.2 140 450 A S H X S+ 0 0 1 -4,-1.6 4,-2.4 2,-0.2 5,-0.3 0.869 109.2 57.2 -71.1 -40.4 19.1 -5.2 0.8 141 451 A I H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.968 106.0 50.6 -54.0 -52.7 18.2 -5.0 4.5 142 452 A I H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.905 110.0 50.2 -49.4 -51.7 14.6 -4.3 3.4 143 453 A L H < S+ 0 0 0 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.913 119.5 33.8 -55.0 -53.9 14.5 -7.3 1.1 144 454 A L H < S+ 0 0 2 -4,-2.4 4,-0.3 1,-0.1 -1,-0.2 0.823 124.0 45.2 -73.8 -33.1 15.8 -9.8 3.7 145 455 A N H >X S+ 0 0 2 -4,-3.2 3,-1.7 -5,-0.3 4,-0.6 0.961 93.7 68.4 -76.7 -54.1 14.2 -8.2 6.7 146 456 A S T 3< S+ 0 0 1 -4,-2.1 4,-0.2 -5,-0.3 -1,-0.1 0.719 112.9 25.7 -48.0 -35.8 10.6 -7.3 5.9 147 457 A G T 34 S+ 0 0 0 -4,-0.4 -1,-0.3 -5,-0.2 -2,-0.1 0.345 93.7 89.8-115.8 4.9 9.2 -10.9 5.6 148 458 A V T X4 S+ 0 0 0 -3,-1.7 3,-1.2 -4,-0.3 -2,-0.1 0.826 85.2 56.6 -71.8 -33.7 11.5 -13.1 7.8 149 459 A Y T 3< S+ 0 0 13 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.864 102.0 57.3 -63.1 -38.2 9.4 -12.6 11.0 150 460 A T T 3 0 0 53 -4,-0.2 -1,-0.3 1,-0.1 -2,-0.1 -0.049 360.0 360.0 -86.8 29.2 6.4 -13.9 9.2 151 461 A F < 0 0 73 -3,-1.2 -1,-0.1 4,-0.0 8,-0.1 -0.665 360.0 360.0 -88.4 360.0 8.2 -17.2 8.4 152 ! 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 0.0 153 466 A L 0 0 161 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 9.1 14.8 -27.3 11.1 154 467 A K + 0 0 131 3,-0.0 4,-0.4 0, 0.0 0, 0.0 0.474 360.0 31.8-101.5 -25.8 14.4 -26.7 7.5 155 468 A S S > S+ 0 0 73 2,-0.2 4,-2.3 3,-0.1 5,-0.2 0.839 110.6 59.0 -99.5 -44.5 13.1 -23.3 8.4 156 469 A L H > S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.863 108.5 50.7 -57.3 -36.7 15.0 -22.3 11.6 157 470 A E H > S+ 0 0 123 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.827 108.3 51.0 -67.3 -37.9 18.3 -22.7 9.6 158 471 A E H > S+ 0 0 27 -4,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.902 112.4 45.3 -68.8 -49.3 17.0 -20.5 6.8 159 472 A K H X S+ 0 0 48 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.957 111.8 53.5 -52.0 -56.4 16.0 -17.7 9.1 160 473 A D H X S+ 0 0 90 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.861 109.2 50.8 -45.6 -41.2 19.3 -18.2 10.9 161 474 A H H >X S+ 0 0 22 -4,-1.6 4,-2.4 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110.3 51.2 -82.1 -34.6 19.0 4.9 8.9 195 508 A L H >X S+ 0 0 2 -4,-2.1 4,-0.6 -5,-0.3 3,-0.5 0.869 105.8 57.7 -65.7 -32.6 17.4 1.8 10.3 196 509 A L H 3X S+ 0 0 7 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.625 96.8 61.9 -75.0 -14.2 14.6 3.9 11.8 197 510 A I H <> S+ 0 0 0 -3,-0.6 4,-2.0 -4,-0.4 -1,-0.2 0.771 92.0 65.9 -79.2 -31.3 13.6 5.3 8.4 198 511 A L H 4 S+ 0 0 65 -4,-0.2 3,-2.3 2,-0.2 -2,-0.2 0.927 107.0 47.1 -85.6 -61.8 -7.9 -1.8 -7.8 217 530 A C H 3< S+ 0 0 78 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.1 0.686 107.8 64.7 -51.5 -19.9 -11.5 -2.3 -6.7 218 531 A K T 3< S- 0 0 103 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.691 86.9-150.0 -81.3 -21.1 -12.1 0.8 -8.8 219 532 A N < + 0 0 139 -3,-2.3 -3,-0.1 -4,-0.2 -2,-0.1 0.565 63.3 122.4 55.9 8.6 -11.2 -0.7 -12.2 220 533 A V S S+ 0 0 42 -5,-0.3 -1,-0.1 1,-0.2 -4,-0.1 0.782 74.3 36.0 -59.8 -32.9 -10.1 2.9 -13.1 221 534 A V S S- 0 0 6 -6,-0.8 -1,-0.2 -5,-0.1 -2,-0.2 -0.957 82.7-128.9-136.0 115.3 -6.6 1.5 -13.8 222 535 A P - 0 0 116 0, 0.0 2,-0.4 0, 0.0 -181,-0.1 -0.300 26.4-156.4 -53.5 141.1 -5.6 -1.7 -15.4 223 536 A L - 0 0 23 -7,-0.1 -181,-0.1 -178,-0.0 -185,-0.0 -0.993 19.2-109.9-123.7 137.9 -3.0 -3.6 -13.3 224 537 A S > - 0 0 36 -2,-0.4 4,-2.6 -183,-0.2 5,-0.2 -0.083 29.3-111.8 -57.5 158.5 -0.6 -6.1 -14.7 225 538 A D H > S+ 0 0 119 2,-0.2 4,-1.8 1,-0.2 259,-0.2 0.837 121.8 47.2 -63.7 -32.5 -1.0 -9.8 -13.8 226 539 A L H > S+ 0 0 8 2,-0.2 4,-2.2 1,-0.1 3,-0.3 0.984 111.5 47.8 -66.2 -59.7 2.2 -9.5 -11.8 227 540 A L H > S+ 0 0 2 1,-0.3 4,-1.1 2,-0.2 -2,-0.2 0.863 114.0 50.8 -50.4 -34.0 1.2 -6.2 -10.1 228 541 A L H X S+ 0 0 68 -4,-2.6 4,-1.6 1,-0.2 -1,-0.3 0.897 110.1 46.4 -76.6 -42.9 -2.1 -7.9 -9.3 229 542 A E H X S+ 0 0 48 -4,-1.8 4,-1.4 -3,-0.3 -1,-0.2 0.782 110.2 54.9 -65.6 -29.3 -0.7 -11.1 -7.8 230 543 A M H < S+ 0 0 3 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.740 111.0 44.3 -80.8 -24.1 1.7 -9.0 -5.7 231 544 A L H >< S+ 0 0 8 -4,-1.1 3,-0.7 -5,-0.3 -2,-0.2 0.741 105.0 65.1 -85.9 -26.3 -1.2 -7.1 -4.3 232 545 A D H >X S+ 0 0 105 -4,-1.6 3,-1.4 1,-0.2 4,-1.0 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138.3 21.1 13.0 31.2 243 311 B T > - 0 0 77 -2,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.376 25.7 -94.9 -89.0-179.2 23.7 10.3 31.1 244 312 B A H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.974 124.6 43.3 -57.6 -61.7 23.2 6.7 30.0 245 313 B D H > S+ 0 0 75 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.776 115.4 49.7 -62.8 -27.1 22.5 5.3 33.4 246 314 B Q H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.1 -1,-0.3 0.821 107.9 55.0 -75.1 -35.4 20.2 8.2 34.3 247 315 B M H X S+ 0 0 1 -4,-2.4 4,-1.6 -3,-0.2 -2,-0.2 0.927 111.7 43.6 -57.5 -48.8 18.4 7.7 31.0 248 316 B V H X S+ 0 0 11 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.881 110.6 54.7 -65.9 -42.5 17.7 4.0 32.0 249 317 B S H X S+ 0 0 76 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.938 108.7 48.5 -60.1 -45.6 16.7 4.9 35.5 250 318 B A H X S+ 0 0 34 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.934 111.8 48.2 -58.9 -51.6 14.1 7.4 34.4 251 319 B L H X S+ 0 0 0 -4,-1.6 4,-0.8 1,-0.3 3,-0.3 0.927 112.3 47.4 -58.2 -50.9 12.5 5.0 31.8 252 320 B L H < S+ 0 0 74 -4,-2.3 -1,-0.3 1,-0.2 3,-0.2 0.804 113.8 50.9 -59.0 -27.8 12.3 2.1 34.2 253 321 B D H < S+ 0 0 115 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.746 107.5 51.2 -83.1 -27.3 10.8 4.5 36.7 254 322 B A H < S+ 0 0 7 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.512 81.5 130.7 -80.6 -7.8 8.2 5.8 34.2 255 323 B E < - 0 0 64 -4,-0.8 -3,-0.1 -3,-0.2 34,-0.0 -0.191 56.5-125.6 -56.1 131.9 7.0 2.3 33.4 256 324 B P - 0 0 48 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.295 26.1-101.8 -69.6 162.0 3.3 1.8 33.5 257 325 B P - 0 0 71 0, 0.0 2,-0.5 0, 0.0 31,-0.1 -0.427 34.6-104.9 -74.3 155.1 1.5 -0.9 35.6 258 326 B I - 0 0 94 -2,-0.1 2,-0.3 79,-0.0 79,-0.1 -0.754 41.6-146.9 -80.6 129.5 0.2 -4.1 34.1 259 327 B L - 0 0 28 -2,-0.5 2,-0.2 77,-0.2 26,-0.0 -0.742 5.7-125.0-102.0 148.3 -3.6 -3.7 34.0 260 328 B Y - 0 0 145 -2,-0.3 2,-0.2 77,-0.2 77,-0.0 -0.559 22.4-121.5 -92.1 152.3 -6.2 -6.5 34.5 261 329 B S - 0 0 6 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 -0.502 22.1-113.8 -87.3 161.1 -8.9 -7.3 32.0 262 330 B E + 0 0 112 15,-0.2 2,-0.4 -2,-0.2 -1,-0.1 -0.101 55.0 175.1 -83.7 41.3 -12.7 -7.3 32.7 263 331 B Y - 0 0 71 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21.5 -2.5 17.7 435 505 B A H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -1,-0.3 0.881 107.9 53.4 -61.5 -44.1 20.6 -3.4 14.1 436 506 B Q H X S+ 0 0 35 -4,-1.7 4,-0.8 -3,-0.3 -1,-0.2 0.858 112.5 42.7 -65.8 -33.9 18.5 -6.4 15.1 437 507 B L H X S+ 0 0 0 -4,-2.1 4,-0.9 2,-0.2 3,-0.3 0.906 113.1 50.0 -81.4 -42.2 16.3 -4.5 17.5 438 508 B L H X S+ 0 0 2 -4,-2.0 4,-0.7 -5,-0.3 3,-0.4 0.839 108.8 54.8 -64.4 -32.0 15.8 -1.5 15.4 439 509 B L H >X S+ 0 0 8 -4,-2.0 4,-0.8 1,-0.2 3,-0.5 0.804 99.1 62.1 -69.9 -28.4 14.8 -3.8 12.5 440 510 B I H 3X S+ 0 0 0 -4,-0.8 4,-1.3 -3,-0.3 -1,-0.2 0.800 92.9 64.9 -64.9 -28.8 12.2 -5.3 14.8 441 511 B L H 3X S+ 0 0 3 -4,-0.9 4,-2.7 -3,-0.4 5,-0.2 0.847 92.6 61.8 -62.4 -35.1 10.5 -1.9 15.0 442 512 B S H <>S+ 0 0 2 -4,-1.7 5,-2.0 2,-0.2 3,-0.8 0.918 115.4 47.9 -65.0 -39.2 -14.7 -3.8 13.9 459 529 B K H ><5S+ 0 0 61 -4,-3.0 3,-2.1 1,-0.2 -2,-0.2 0.975 111.2 48.1 -60.5 -55.0 -15.7 -0.2 14.2 460 530 B C T 3<5S+ 0 0 66 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.494 112.7 50.8 -67.9 -4.0 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