==== 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 NUCLEAR RECEPTOR 28-JAN-05 2BJ4 . COMPND 2 MOLECULE: ESTROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.KONG,N.HELDRING,J.A.GUSTAFSSON,E.TREUTER,R.E.HUBBARD, A.C. . 462 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19987.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 3.0 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 . 2 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 . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 270 58.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0 2 0 0 0 2 0 0 1 1 0 1 0 0 0 3 0 0 2 0 0 2 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 0 0 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 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 75 0, 0.0 3,-1.3 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 122.2 -1.9 60.1 39.1 2 306 A L G >4 + 0 0 120 1,-0.2 3,-1.3 2,-0.2 4,-0.4 0.894 360.0 62.1 -32.1 -54.8 1.5 61.5 40.1 3 307 A A G >4 S+ 0 0 0 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.745 98.3 49.9 -52.1 -40.8 2.7 60.5 36.7 4 308 A L G <4 S+ 0 0 52 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.663 107.4 54.1 -83.8 -13.8 0.5 62.6 34.5 5 309 A S G << S+ 0 0 94 -3,-1.3 -1,-0.2 -4,-0.8 2,-0.2 0.432 84.1 111.0 -95.8 -2.5 1.2 65.9 36.3 6 310 A L < - 0 0 25 -3,-0.7 2,-0.1 -4,-0.4 -3,-0.0 -0.535 65.0-132.3 -72.5 136.0 5.0 65.6 36.0 7 311 A T > - 0 0 71 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.422 31.7-101.9 -72.9 164.5 6.8 68.0 33.7 8 312 A A H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.908 124.7 50.2 -54.3 -48.3 9.2 66.6 31.2 9 313 A D H > S+ 0 0 100 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.880 111.2 49.3 -59.2 -39.3 12.2 67.7 33.5 10 314 A Q H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.866 108.8 52.3 -71.4 -34.1 10.5 66.0 36.5 11 315 A M H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.933 110.0 48.8 -62.5 -48.8 9.9 62.8 34.5 12 316 A V H X S+ 0 0 13 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.946 112.2 49.1 -54.5 -48.7 13.6 62.7 33.5 13 317 A S H X S+ 0 0 62 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.889 110.3 50.3 -59.0 -45.4 14.6 63.3 37.2 14 318 A A H X S+ 0 0 27 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.892 112.5 46.8 -58.9 -44.8 12.3 60.5 38.5 15 319 A L H < S+ 0 0 2 -4,-2.5 4,-0.4 2,-0.2 -2,-0.2 0.903 113.8 47.2 -70.2 -39.5 13.7 58.0 35.9 16 320 A L H >< S+ 0 0 33 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.932 110.6 53.1 -61.7 -47.7 17.3 58.9 36.7 17 321 A D H 3< S+ 0 0 115 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.827 106.6 54.0 -53.7 -37.5 16.6 58.7 40.4 18 322 A A T 3< S+ 0 0 2 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.503 76.3 130.1 -77.5 -7.6 15.2 55.2 40.0 19 323 A E < - 0 0 21 -3,-1.5 -3,-0.1 -4,-0.4 30,-0.0 -0.227 54.8-127.1 -60.9 132.1 18.2 53.7 38.2 20 324 A P - 0 0 30 0, 0.0 428,-0.4 0, 0.0 -1,-0.1 -0.202 30.0 -85.9 -74.2 165.7 19.4 50.4 39.7 21 325 A P - 0 0 63 0, 0.0 2,-0.6 0, 0.0 426,-0.2 -0.371 35.2-125.3 -63.1 145.3 22.9 49.5 40.8 22 326 A I - 0 0 19 424,-3.1 2,-0.2 -2,-0.1 75,-0.1 -0.886 37.4-142.0 -92.6 122.5 25.3 48.1 38.2 23 327 A L - 0 0 17 -2,-0.6 2,-0.4 73,-0.2 18,-0.0 -0.534 5.9-131.9 -93.3 151.6 26.4 44.9 39.7 24 328 A Y - 0 0 126 -2,-0.2 2,-0.2 73,-0.2 73,-0.0 -0.789 33.8-109.0 -93.0 143.3 29.8 43.1 39.7 25 329 A S 0 0 15 -2,-0.4 13,-0.1 1,-0.2 12,-0.1 -0.489 360.0 360.0 -71.4 139.5 29.9 39.4 38.9 26 330 A E 0 0 181 11,-0.2 -1,-0.2 -2,-0.2 11,-0.1 0.590 360.0 360.0-107.7 360.0 30.6 37.0 41.7 27 ! 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 28 336 A P 0 0 179 0, 0.0 2,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-157.6 38.4 28.4 32.2 29 337 A F + 0 0 73 4,-0.1 2,-0.3 3,-0.1 3,-0.1 -0.485 360.0 174.9 -68.8 144.9 35.0 29.2 30.7 30 338 A S > - 0 0 54 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.870 48.4-103.5-131.3 169.2 32.7 26.5 29.7 31 339 A E H > S+ 0 0 78 78,-0.3 4,-2.5 -2,-0.3 5,-0.3 0.933 124.7 49.9 -50.3 -49.4 29.1 26.7 28.5 32 340 A A H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 112.8 42.8 -59.0 -51.0 28.1 25.6 32.0 33 341 A S H > S+ 0 0 45 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.903 115.0 50.3 -67.2 -39.1 30.2 28.1 33.9 34 342 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.913 112.0 45.0 -69.5 -44.7 29.4 31.0 31.6 35 343 A M H X S+ 0 0 26 -4,-2.5 4,-3.0 -5,-0.2 -1,-0.2 0.842 112.3 56.3 -62.6 -36.2 25.6 30.5 31.8 36 344 A G H X S+ 0 0 27 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.943 109.1 44.0 -56.5 -52.9 26.1 30.1 35.5 37 345 A L H X S+ 0 0 42 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.931 116.8 46.4 -59.2 -48.0 27.7 33.5 35.8 38 346 A L H X S+ 0 0 24 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.918 113.5 48.8 -62.8 -45.0 25.1 35.1 33.5 39 347 A T H X S+ 0 0 55 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.910 111.8 48.9 -59.3 -45.8 22.2 33.4 35.4 40 348 A N H X S+ 0 0 103 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.929 113.9 45.9 -59.5 -46.7 23.6 34.5 38.8 41 349 A L H X S+ 0 0 6 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.957 113.4 49.4 -62.2 -51.5 24.1 38.1 37.7 42 350 A A H X S+ 0 0 19 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.890 108.9 52.4 -53.2 -45.7 20.6 38.2 36.1 43 351 A D H X S+ 0 0 90 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.884 111.6 46.4 -64.3 -37.8 18.9 36.8 39.2 44 352 A R H X S+ 0 0 70 -4,-2.0 4,-1.1 1,-0.2 3,-0.5 0.906 111.5 51.3 -66.8 -43.6 20.6 39.5 41.3 45 353 A E H X S+ 0 0 31 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.829 102.3 61.9 -63.7 -32.1 19.6 42.2 38.8 46 354 A L H X S+ 0 0 43 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.844 97.6 56.7 -62.1 -35.0 16.0 41.0 38.9 47 355 A V H X S+ 0 0 87 -4,-0.9 4,-0.9 -3,-0.5 3,-0.3 0.943 112.6 41.0 -57.6 -47.1 15.8 41.8 42.6 48 356 A H H X S+ 0 0 67 -4,-1.1 4,-2.4 1,-0.2 -2,-0.2 0.843 107.9 62.8 -72.6 -33.0 16.7 45.4 42.0 49 357 A M H X S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.843 97.2 57.0 -60.2 -35.4 14.6 45.6 38.8 50 358 A I H X S+ 0 0 83 -4,-1.4 4,-1.4 -3,-0.3 -1,-0.2 0.910 111.4 42.3 -64.7 -37.6 11.4 45.0 40.9 51 359 A N H X S+ 0 0 90 -4,-0.9 4,-0.7 1,-0.2 -2,-0.2 0.888 112.2 53.7 -80.2 -39.0 12.1 48.0 43.0 52 360 A W H >< S+ 0 0 7 -4,-2.4 3,-1.6 1,-0.2 4,-0.5 0.931 106.1 54.0 -49.9 -51.5 13.2 50.1 40.0 53 361 A A H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.3 6,-0.2 0.878 102.5 56.7 -61.6 -36.8 9.9 49.3 38.3 54 362 A K H 3< S+ 0 0 86 -4,-1.4 6,-0.3 1,-0.3 -1,-0.3 0.685 105.0 53.7 -67.1 -17.8 7.9 50.5 41.3 55 363 A R T << S+ 0 0 138 -3,-1.6 -1,-0.3 -4,-0.7 -2,-0.2 0.455 81.7 105.7 -93.5 -4.0 9.7 53.9 41.0 56 364 A V S X> S- 0 0 3 -3,-1.5 3,-2.2 -4,-0.5 4,-0.5 -0.691 88.1-103.5 -76.4 119.8 8.7 54.3 37.2 57 365 A P T 34 S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.183 104.4 15.0 -47.8 127.9 6.0 57.0 37.1 58 366 A G T >4 S+ 0 0 6 -4,-0.1 3,-0.6 1,-0.0 4,-0.3 -0.078 98.8 96.0 102.9 -31.7 2.6 55.2 36.6 59 367 A F G X4 S+ 0 0 0 -3,-2.2 3,-1.6 1,-0.3 -5,-0.1 0.884 81.8 52.3 -65.5 -40.6 3.6 51.7 37.4 60 368 A V G 3< S+ 0 0 88 -4,-0.5 -1,-0.3 -6,-0.3 7,-0.1 0.733 95.9 70.0 -70.0 -21.6 2.5 51.7 41.0 61 369 A D G < S+ 0 0 68 -3,-0.6 -1,-0.3 2,-0.0 2,-0.2 0.618 88.8 84.6 -68.4 -13.8 -0.9 53.0 40.0 62 370 A L S < S- 0 0 6 -3,-1.6 5,-0.0 -4,-0.3 -4,-0.0 -0.564 92.6 -92.4 -90.3 159.1 -1.6 49.5 38.5 63 371 A T > - 0 0 47 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.190 35.3-113.6 -60.9 159.0 -2.8 46.4 40.3 64 372 A L H > S+ 0 0 120 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.898 118.9 56.1 -63.6 -35.6 -0.2 44.1 41.7 65 373 A H H > S+ 0 0 144 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.907 110.0 44.0 -60.2 -45.0 -1.4 41.5 39.1 66 374 A D H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.865 110.8 54.7 -69.4 -38.1 -0.8 43.9 36.2 67 375 A Q H X S+ 0 0 8 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.938 110.8 46.4 -56.0 -48.1 2.6 45.0 37.7 68 376 A V H X S+ 0 0 75 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.934 111.9 51.0 -61.5 -46.7 3.7 41.3 37.8 69 377 A H H X S+ 0 0 31 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.924 109.0 49.9 -58.6 -46.6 2.4 40.7 34.3 70 378 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.937 114.2 45.2 -60.2 -45.3 4.3 43.7 32.8 71 379 A L H X S+ 0 0 27 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.893 109.0 55.5 -66.6 -41.8 7.6 42.6 34.5 72 380 A E H < S+ 0 0 132 -4,-3.0 4,-0.2 1,-0.2 -1,-0.2 0.883 114.7 41.2 -55.6 -39.4 7.1 38.9 33.4 73 381 A C H < S+ 0 0 45 -4,-2.2 4,-0.3 -5,-0.2 -2,-0.2 0.845 124.9 33.8 -74.5 -33.5 6.8 40.2 29.8 74 382 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 3,-0.2 0.576 84.0 97.5 -99.7 -18.8 9.6 42.8 29.9 75 383 A W H X S+ 0 0 60 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.828 88.3 43.9 -57.6 -37.7 12.3 41.6 32.2 76 384 A L H > S+ 0 0 19 -4,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.908 113.4 52.2 -76.3 -35.7 14.7 40.2 29.6 77 385 A E H > S+ 0 0 3 -4,-0.3 4,-2.4 -3,-0.2 -2,-0.2 0.888 110.7 49.3 -58.6 -40.2 14.3 43.2 27.4 78 386 A I H X S+ 0 0 8 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.909 110.9 48.1 -70.5 -42.7 15.1 45.4 30.3 79 387 A L H X S+ 0 0 19 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.920 114.3 48.3 -60.5 -42.9 18.3 43.4 31.2 80 388 A M H X S+ 0 0 13 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.889 109.5 48.6 -68.7 -42.8 19.4 43.5 27.6 81 389 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.938 111.7 52.0 -66.7 -37.6 18.9 47.2 27.0 82 390 A G H X S+ 0 0 10 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.914 111.0 48.1 -53.4 -48.7 20.8 47.9 30.2 83 391 A L H X S+ 0 0 8 -4,-2.0 4,-1.3 2,-0.2 12,-0.4 0.922 110.4 50.3 -60.7 -46.8 23.6 45.6 28.9 84 392 A V H X S+ 0 0 1 -4,-2.7 4,-0.9 1,-0.2 3,-0.5 0.940 110.2 51.7 -59.9 -47.2 23.6 47.4 25.5 85 393 A W H >< S+ 0 0 2 -4,-2.7 3,-1.0 1,-0.2 4,-0.3 0.930 112.4 43.2 -53.2 -53.9 23.8 50.8 27.3 86 394 A R H 3< S+ 0 0 14 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.666 114.1 52.5 -74.7 -11.0 26.8 49.9 29.5 87 395 A S H >< S+ 0 0 0 -4,-1.3 3,-2.3 -3,-0.5 6,-0.3 0.550 81.2 99.4 -92.1 -10.2 28.5 48.2 26.5 88 396 A M T << S+ 0 0 14 -3,-1.0 -1,-0.1 -4,-0.9 -2,-0.1 0.798 81.5 46.8 -48.4 -44.9 28.2 51.3 24.2 89 397 A E T 3 S+ 0 0 103 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.246 101.3 74.0 -85.1 13.5 31.7 52.6 24.7 90 398 A H S X S- 0 0 50 -3,-2.3 3,-2.2 3,-0.2 -1,-0.2 -0.605 74.1-154.5-129.1 73.6 33.3 49.1 24.2 91 399 A P T 3 S+ 0 0 81 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.177 80.8 14.4 -44.7 128.5 33.1 48.2 20.5 92 400 A G T 3 S+ 0 0 42 1,-0.2 12,-0.7 29,-0.1 2,-0.3 0.393 114.4 88.7 87.6 -2.2 33.2 44.4 20.0 93 401 A K E < -A 103 0A 82 -3,-2.2 2,-0.5 -6,-0.3 10,-0.2 -0.914 63.6-140.3-133.6 155.1 32.4 43.6 23.6 94 402 A L E -A 102 0A 2 8,-2.9 8,-2.8 -2,-0.3 2,-1.5 -0.972 15.0-150.5-112.7 118.9 29.5 43.1 26.1 95 403 A L E +A 101 0A 7 -2,-0.5 6,-0.2 -12,-0.4 -9,-0.1 -0.657 25.5 167.3 -88.8 79.7 30.1 44.6 29.5 96 404 A F E S- 0 0 19 4,-1.5 -1,-0.2 -2,-1.5 -73,-0.2 0.911 78.3 -14.9 -60.5 -40.6 28.0 42.1 31.6 97 405 A A E > S-A 100 0A 0 3,-1.5 3,-3.0 -3,-0.2 -1,-0.3 -0.953 78.7 -99.0-152.1 162.4 29.6 43.6 34.6 98 406 A P T 3 S+ 0 0 39 0, 0.0 3,-0.2 0, 0.0 -74,-0.1 0.827 130.1 41.4 -55.4 -30.5 32.7 45.9 35.0 99 407 A N T 3 S+ 0 0 87 1,-0.2 2,-0.2 -4,-0.1 -75,-0.1 0.229 112.5 59.1 -98.2 13.3 34.6 42.7 35.9 100 408 A L E < +A 97 0A 13 -3,-3.0 -4,-1.5 2,-0.0 -3,-1.5 -0.690 61.3 157.6-142.0 81.9 32.9 40.6 33.2 101 409 A L E -A 95 0A 62 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.947 19.8-175.1-110.3 114.9 33.6 42.1 29.8 102 410 A L E -A 94 0A 3 -8,-2.8 -8,-2.9 -2,-0.6 2,-0.2 -0.847 17.1-146.9-117.4 147.1 33.3 39.5 27.0 103 411 A D E > -A 93 0A 57 -2,-0.3 4,-0.9 -10,-0.2 3,-0.5 -0.575 38.6 -98.5-101.7 176.1 33.8 39.5 23.3 104 412 A R H > S+ 0 0 107 -12,-0.7 4,-1.4 1,-0.2 3,-0.4 0.829 118.9 65.4 -66.7 -32.0 31.8 37.5 20.7 105 413 A N H >4 S+ 0 0 124 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.934 103.9 48.4 -49.5 -48.6 34.4 34.7 20.5 106 414 A Q H >4 S+ 0 0 66 -3,-0.5 3,-1.5 1,-0.2 4,-0.3 0.748 98.7 68.1 -67.3 -26.1 33.5 34.0 24.1 107 415 A G H >< S+ 0 0 0 -4,-0.9 3,-1.8 -3,-0.4 6,-0.3 0.917 87.1 68.5 -55.7 -42.9 29.8 34.1 23.3 108 416 A K T << S+ 0 0 46 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.553 76.3 85.7 -57.2 -10.1 30.3 30.9 21.3 109 417 A C T < S+ 0 0 41 -3,-1.5 2,-0.8 1,-0.2 -78,-0.3 0.947 87.8 54.6 -49.3 -52.1 30.9 29.1 24.6 110 418 A V S X> S- 0 0 1 -3,-1.8 3,-3.2 -4,-0.3 4,-0.6 -0.799 97.3-125.5 -92.5 107.9 27.2 28.7 24.9 111 419 A E T 34 S+ 0 0 71 -2,-0.8 -2,-0.1 1,-0.3 -3,-0.1 -0.323 100.5 20.7 -49.8 121.9 25.8 26.9 21.8 112 420 A G T 3> S+ 0 0 43 -4,-0.1 4,-0.7 -2,-0.0 -1,-0.3 0.113 103.5 91.4 99.8 -18.4 23.1 29.2 20.5 113 421 A M H <> + 0 0 11 -3,-3.2 4,-3.0 -6,-0.3 5,-0.2 0.759 66.8 70.6 -85.7 -24.6 24.4 32.3 22.3 114 422 A V H X S+ 0 0 48 -4,-0.6 4,-2.7 -7,-0.2 5,-0.2 0.876 96.8 56.4 -60.8 -35.9 26.7 33.7 19.6 115 423 A E H > S+ 0 0 104 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.951 111.6 41.8 -52.0 -54.0 23.5 34.7 17.6 116 424 A I H X S+ 0 0 16 -4,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.933 112.7 54.0 -62.8 -47.5 22.2 36.6 20.6 117 425 A F H X S+ 0 0 5 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.909 108.6 49.8 -55.8 -44.1 25.7 38.2 21.3 118 426 A D H X S+ 0 0 63 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.916 110.3 49.9 -61.7 -44.0 26.0 39.4 17.7 119 427 A M H X S+ 0 0 11 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.884 110.7 49.9 -61.4 -41.2 22.5 41.0 17.9 120 428 A L H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.929 110.3 49.5 -63.5 -45.4 23.5 42.7 21.1 121 429 A L H X S+ 0 0 28 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.851 109.0 53.7 -58.9 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51.8 48.6 25.1 59.0 20.0 132 440 A L < - 0 0 1 -5,-2.4 321,-0.5 -6,-0.1 2,-0.2 -0.278 4.1-141.3 -53.2 132.3 22.2 57.8 22.2 133 441 A Q B > -b 453 0B 23 -3,-0.1 4,-2.2 319,-0.1 3,-0.4 -0.626 17.5-114.6-100.1 159.5 22.1 59.8 25.5 134 442 A G H > S+ 0 0 0 319,-2.1 4,-2.7 1,-0.2 5,-0.2 0.870 114.2 56.0 -62.1 -38.5 21.4 58.4 28.9 135 443 A E H > S+ 0 0 4 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.870 110.2 47.2 -60.3 -36.9 18.2 60.4 29.4 136 444 A E H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.906 110.6 51.9 -69.0 -44.6 16.9 58.8 26.2 137 445 A F H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.920 108.7 50.4 -56.1 -46.1 18.0 55.3 27.3 138 446 A V H X S+ 0 0 3 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.900 110.4 50.0 -65.4 -39.0 16.2 55.7 30.6 139 447 A C H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.944 110.4 49.8 -60.0 -49.7 13.0 56.7 28.7 140 448 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.912 107.3 54.4 -58.2 -42.2 13.3 53.7 26.4 141 449 A K H X S+ 0 0 9 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.916 109.8 47.2 -58.9 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24.5 152 460 A T G < S+ 0 0 58 -3,-1.0 -1,-0.2 2,-0.1 -2,-0.2 0.104 77.3 109.8-122.2 19.5 -1.5 40.6 26.5 153 461 A F < 0 0 18 -3,-0.7 -2,-0.1 1,-0.1 -3,-0.1 0.973 360.0 360.0 -50.0 -87.0 -3.3 41.8 29.7 154 462 A L 0 0 99 3,-0.1 3,-0.2 6,-0.0 -1,-0.1 -0.591 360.0 360.0 138.4 360.0 -6.8 40.3 29.5 155 ! 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 0.0 156 464 A S 0 0 106 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -14.5 -12.7 41.2 30.7 157 465 A T > - 0 0 72 -3,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.977 360.0-131.8-131.4 153.2 -13.2 44.0 33.2 158 466 A L H > S+ 0 0 125 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.902 110.8 59.4 -60.6 -44.5 -13.8 47.8 33.0 159 467 A K H > S+ 0 0 84 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.931 103.7 50.9 -48.4 -54.3 -10.9 48.2 35.5 160 468 A S H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.864 108.8 49.9 -56.1 -41.4 -8.5 46.5 33.1 161 469 A L H X S+ 0 0 94 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.926 109.3 52.6 -63.8 -40.8 -9.5 48.8 30.3 162 470 A E H X S+ 0 0 115 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