==== 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 16-SEP-05 2B23 . COMPND 2 MOLECULE: ESTROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.S.RAJAN,R.W.HSIEH,S.K.SHARMA,G.L.GREENE . 481 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20312.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 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 2.3 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 . 10 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 279 58.0 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 1 1 1 2 0 0 2 0 0 1 1 2 0 0 1 1 0 0 3 1 0 0 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 94 0, 0.0 156,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-145.1 -21.1 23.9 1.2 2 306 A L >> + 0 0 103 4,-0.0 3,-1.3 0, 0.0 4,-0.6 0.190 360.0 76.5-163.4 -36.3 -22.6 22.2 -1.9 3 307 A A G >4 S+ 0 0 1 1,-0.3 3,-0.7 2,-0.2 8,-0.0 0.832 92.3 59.4 -55.2 -33.5 -23.4 18.7 -0.7 4 308 A L G 34 S+ 0 0 67 1,-0.2 -1,-0.3 55,-0.0 153,-0.0 0.691 103.2 49.3 -75.5 -19.4 -26.5 20.2 1.1 5 309 A S G <4 S+ 0 0 90 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.439 85.6 106.0-102.5 -0.2 -28.1 21.6 -2.1 6 310 A L S << S- 0 0 35 -3,-0.7 2,-0.1 -4,-0.6 -4,-0.0 -0.501 71.9-123.4 -68.1 146.2 -27.8 18.4 -4.1 7 311 A T > - 0 0 75 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.370 29.8-100.3 -80.3 174.5 -31.1 16.6 -4.7 8 312 A A H > S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.894 124.2 47.6 -68.1 -42.0 -31.4 12.9 -3.6 9 313 A D H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.856 113.3 49.9 -64.2 -37.6 -30.9 11.5 -7.1 10 314 A Q H > S+ 0 0 94 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.861 108.6 52.1 -67.9 -39.2 -27.9 13.9 -7.5 11 315 A M H X S+ 0 0 4 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.933 114.5 42.0 -61.4 -48.2 -26.3 12.7 -4.2 12 316 A V H X S+ 0 0 9 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.864 113.1 54.1 -66.0 -36.6 -26.6 9.1 -5.2 13 317 A S H X S+ 0 0 55 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.948 109.4 48.7 -60.3 -48.1 -25.4 9.9 -8.7 14 318 A A H X S+ 0 0 26 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.896 113.8 45.5 -53.7 -46.1 -22.4 11.6 -7.2 15 319 A L H X S+ 0 0 0 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.876 111.2 51.6 -74.9 -33.9 -21.7 8.6 -5.0 16 320 A L H >< S+ 0 0 71 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.908 112.9 47.0 -62.8 -41.4 -22.2 6.0 -7.8 17 321 A D H 3< S+ 0 0 110 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.760 107.8 54.8 -75.1 -29.2 -19.7 8.0 -9.9 18 322 A A H 3< S+ 0 0 5 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.647 80.9 127.0 -73.8 -15.6 -17.1 8.3 -7.2 19 323 A E << - 0 0 62 -4,-0.7 -3,-0.1 -3,-0.6 31,-0.0 -0.087 58.7-128.3 -54.4 132.5 -17.1 4.5 -6.7 20 324 A P - 0 0 34 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.424 28.5-103.6 -74.2 160.8 -13.6 2.9 -6.9 21 325 A P - 0 0 70 0, 0.0 2,-0.7 0, 0.0 28,-0.1 -0.409 30.7-102.7 -79.3 159.9 -13.0 -0.0 -9.2 22 326 A I - 0 0 92 -2,-0.1 2,-0.1 65,-0.0 76,-0.1 -0.753 45.6-148.9 -79.0 114.9 -12.6 -3.7 -8.2 23 327 A L - 0 0 25 -2,-0.7 2,-0.3 74,-0.2 19,-0.0 -0.479 4.3-125.4 -87.2 158.9 -8.9 -4.3 -8.3 24 328 A Y - 0 0 143 74,-0.2 2,-0.1 -2,-0.1 74,-0.0 -0.760 24.8-110.6-102.2 151.7 -7.2 -7.6 -9.2 25 329 A S - 0 0 7 -2,-0.3 2,-1.1 1,-0.1 14,-0.1 -0.479 26.0-115.5 -77.6 152.1 -4.6 -9.4 -7.1 26 330 A E S S+ 0 0 132 12,-0.2 2,-0.2 -2,-0.1 -1,-0.1 0.019 70.2 149.9 -73.4 33.6 -1.0 -9.5 -8.2 27 331 A Y 0 0 118 -2,-1.1 -2,-0.0 1,-0.0 74,-0.0 -0.477 360.0 360.0 -86.7 137.4 -1.8 -13.3 -8.3 28 332 A D 0 0 190 -2,-0.2 -1,-0.0 0, 0.0 -2,-0.0 -0.690 360.0 360.0-114.8 360.0 -0.1 -15.7 -10.8 29 ! 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 30 337 A F 0 0 67 0, 0.0 2,-0.2 0, 0.0 80,-0.0 0.000 360.0 360.0 360.0 162.3 -1.7 -20.6 1.0 31 338 A S > - 0 0 55 78,-0.0 4,-1.4 1,-0.0 5,-0.2 -0.675 360.0 -79.5-138.5-165.6 0.2 -19.8 4.3 32 339 A E H > S+ 0 0 57 78,-0.3 4,-1.9 -2,-0.2 5,-0.1 0.911 125.4 43.4 -70.3 -43.0 0.7 -16.9 6.7 33 340 A A H > S+ 0 0 53 2,-0.2 4,-1.5 3,-0.2 -1,-0.1 0.881 117.6 42.1 -74.8 -41.2 3.2 -15.1 4.5 34 341 A S H > S+ 0 0 47 2,-0.2 4,-2.4 3,-0.2 5,-0.3 0.912 115.3 51.0 -73.1 -43.7 1.5 -15.4 1.1 35 342 A M H X S+ 0 0 0 -4,-1.4 4,-2.6 1,-0.2 5,-0.2 0.981 116.6 40.1 -48.4 -62.5 -1.9 -14.7 2.6 36 343 A M H X S+ 0 0 13 -4,-1.9 4,-1.8 -5,-0.2 5,-0.2 0.742 114.0 53.9 -64.5 -27.9 -0.7 -11.6 4.3 37 344 A G H X S+ 0 0 23 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.896 113.0 42.4 -75.3 -41.9 1.5 -10.5 1.4 38 345 A L H X S+ 0 0 37 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.945 117.2 47.1 -64.5 -51.1 -1.3 -10.7 -1.1 39 346 A L H X S+ 0 0 23 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.882 113.1 45.8 -64.5 -43.1 -3.9 -9.1 1.2 40 347 A T H X S+ 0 0 17 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.831 110.6 54.2 -73.6 -31.5 -1.7 -6.1 2.3 41 348 A N H X S+ 0 0 58 -4,-1.4 4,-2.3 -5,-0.2 -2,-0.2 0.930 112.9 44.0 -61.0 -42.4 -0.5 -5.4 -1.3 42 349 A L H X S+ 0 0 3 -4,-2.0 4,-3.4 2,-0.2 5,-0.3 0.935 112.3 51.7 -68.2 -47.6 -4.2 -5.2 -2.3 43 350 A A H X S+ 0 0 16 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.888 108.9 51.6 -55.1 -44.3 -5.1 -3.1 0.7 44 351 A D H X S+ 0 0 43 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.958 112.9 45.0 -59.5 -49.1 -2.3 -0.8 -0.1 45 352 A R H >X S+ 0 0 58 -4,-2.3 4,-1.3 1,-0.2 3,-0.5 0.929 113.1 48.9 -61.7 -47.4 -3.6 -0.4 -3.7 46 353 A E H 3X S+ 0 0 31 -4,-3.4 4,-3.2 1,-0.2 -1,-0.2 0.840 104.2 62.8 -59.1 -34.7 -7.3 -0.0 -2.7 47 354 A L H 3X S+ 0 0 1 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.850 100.1 51.3 -60.3 -38.8 -6.3 2.7 -0.1 48 355 A V H < S+ 0 0 4 -4,-2.6 3,-1.9 2,-0.2 4,-0.3 0.957 105.2 55.3 -56.7 -54.0 -13.0 8.3 -3.7 54 361 A A H >< S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.3 6,-0.2 0.857 100.9 56.2 -53.2 -42.6 -13.3 10.1 -0.4 55 362 A K T 3< S+ 0 0 41 -4,-1.4 6,-0.4 1,-0.3 -1,-0.3 0.723 106.1 54.2 -62.4 -17.5 -12.5 13.5 -2.0 56 363 A R T < S+ 0 0 136 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.407 81.3 104.7 -95.8 -0.6 -15.5 12.8 -4.3 57 364 A V S X> S- 0 0 1 -3,-1.7 3,-2.3 -4,-0.3 4,-0.5 -0.726 86.2-109.2 -77.0 122.4 -17.9 12.2 -1.4 58 365 A P T 34 S+ 0 0 18 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.234 102.7 19.3 -59.8 134.8 -20.0 15.4 -1.2 59 366 A G T 34 S+ 0 0 4 -4,-0.1 4,-0.4 4,-0.0 3,-0.3 0.045 101.2 96.1 98.0 -28.1 -19.2 17.5 1.8 60 367 A F T X4 S+ 0 0 0 -3,-2.3 3,-1.9 1,-0.2 -5,-0.1 0.944 80.4 48.4 -65.2 -52.3 -15.8 15.8 2.3 61 368 A V T 3< S+ 0 0 85 -4,-0.5 -1,-0.2 -6,-0.4 -6,-0.1 0.696 99.5 71.4 -63.8 -17.1 -13.6 18.3 0.5 62 369 A D T 3 S+ 0 0 79 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.689 85.7 83.3 -70.2 -19.4 -15.3 21.1 2.5 63 370 A L S < S- 0 0 19 -3,-1.9 2,-0.1 -4,-0.4 -4,-0.0 -0.419 95.7 -91.8 -78.6 162.8 -13.6 19.9 5.6 64 371 A T > - 0 0 81 1,-0.1 4,-2.5 -2,-0.1 3,-0.2 -0.354 35.6-111.4 -68.3 153.6 -10.1 21.0 6.5 65 372 A L H > S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.863 120.6 55.5 -51.6 -36.4 -7.2 18.7 5.3 66 373 A H H > S+ 0 0 128 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.895 107.4 46.5 -68.2 -42.6 -6.7 17.8 8.9 67 374 A D H > S+ 0 0 42 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.869 111.1 53.2 -65.6 -35.7 -10.2 16.7 9.5 68 375 A Q H X S+ 0 0 15 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.942 109.2 49.0 -64.3 -47.4 -10.1 14.7 6.2 69 376 A V H X S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.937 111.6 49.8 -53.0 -51.0 -6.9 12.9 7.4 70 377 A H H X S+ 0 0 36 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.891 111.1 47.8 -59.3 -42.4 -8.6 12.1 10.8 71 378 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.882 114.5 46.0 -71.1 -36.9 -11.7 10.7 9.2 72 379 A L H X S+ 0 0 2 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.879 111.5 51.3 -71.3 -38.7 -9.8 8.5 6.8 73 380 A E H < S+ 0 0 24 -4,-2.7 4,-0.3 -5,-0.2 -2,-0.2 0.872 114.4 45.6 -65.1 -37.3 -7.4 7.3 9.5 74 381 A X H < S+ 0 0 32 -4,-2.1 4,-0.3 -5,-0.2 -2,-0.2 0.919 125.6 27.4 -67.1 -43.5 -10.4 6.3 11.7 75 382 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.476 83.6 102.3-107.1 -5.3 -12.4 4.6 9.0 76 383 A W H X S+ 0 0 4 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.857 88.6 45.2 -58.7 -39.4 -10.1 3.2 6.3 77 384 A L H > S+ 0 0 22 -4,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.931 111.9 51.4 -70.4 -40.6 -10.3 -0.4 7.5 78 385 A E H > S+ 0 0 1 -4,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.903 111.9 49.6 -57.8 -40.3 -14.1 -0.3 8.0 79 386 A I H X S+ 0 0 6 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.906 111.1 46.8 -68.8 -40.6 -14.3 1.0 4.4 80 387 A L H X S+ 0 0 19 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.934 114.9 49.3 -64.8 -41.7 -12.1 -1.7 3.0 81 388 A M H X S+ 0 0 16 -4,-3.1 4,-2.5 2,-0.2 5,-0.2 0.917 108.3 49.8 -64.2 -44.5 -14.1 -4.2 5.0 82 389 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.912 112.1 50.6 -62.0 -37.6 -17.5 -3.0 3.8 83 390 A G H X S+ 0 0 10 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.926 110.2 49.3 -62.3 -46.4 -16.2 -3.1 0.2 84 391 A L H X S+ 0 0 9 -4,-2.4 4,-1.5 1,-0.2 12,-0.4 0.920 112.6 46.5 -57.5 -48.7 -15.0 -6.7 0.7 85 392 A V H < S+ 0 0 0 -4,-2.5 4,-0.3 2,-0.2 -1,-0.2 0.866 112.9 51.0 -64.6 -37.6 -18.3 -7.8 2.2 86 393 A W H >< S+ 0 0 71 -4,-2.3 3,-1.5 -5,-0.2 4,-0.3 0.965 110.3 47.4 -63.0 -54.6 -20.2 -6.1 -0.6 87 394 A R H 3< S+ 0 0 30 -4,-2.9 3,-0.4 1,-0.2 -1,-0.2 0.809 111.7 54.9 -50.3 -34.5 -18.1 -7.7 -3.4 88 395 A S T >< S+ 0 0 0 -4,-1.5 3,-1.7 -5,-0.2 6,-0.3 0.466 77.9 96.6 -86.3 -3.1 -18.6 -11.1 -1.7 89 396 A M T < S+ 0 0 17 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.1 0.888 84.3 46.4 -56.2 -51.5 -22.4 -11.1 -1.5 90 397 A E T 3 S+ 0 0 164 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.242 105.8 66.6 -80.2 13.5 -23.1 -13.1 -4.6 91 398 A H S X S- 0 0 75 -3,-1.7 3,-1.6 3,-0.2 -1,-0.2 -0.505 80.1-156.0-134.2 67.7 -20.4 -15.7 -3.6 92 399 A P T 3 S+ 0 0 88 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.014 76.2 14.1 -47.7 138.3 -21.8 -17.3 -0.4 93 400 A G T 3 S+ 0 0 51 1,-0.2 12,-0.5 29,-0.2 2,-0.3 0.506 116.2 90.1 72.1 5.0 -19.2 -18.9 2.0 94 401 A K < - 0 0 89 -3,-1.6 2,-0.5 -6,-0.3 -1,-0.2 -0.925 67.0-140.1-133.1 153.4 -16.5 -17.0 0.2 95 402 A L E -A 103 0A 0 8,-2.0 8,-2.2 -2,-0.3 2,-1.3 -0.970 13.8-149.4-115.7 120.7 -14.7 -13.7 0.3 96 403 A L E +A 102 0A 14 -2,-0.5 6,-0.2 -12,-0.4 -9,-0.1 -0.664 25.2 167.0 -87.3 83.7 -13.9 -12.0 -3.0 97 404 A F E S- 0 0 24 4,-1.8 -1,-0.2 -2,-1.3 -74,-0.2 0.855 80.4 -15.4 -67.6 -30.5 -10.7 -10.1 -2.2 98 405 A A E > S-A 101 0A 0 3,-0.9 3,-2.7 -3,-0.2 -1,-0.3 -0.936 81.2 -95.7-162.0 159.6 -10.4 -9.6 -6.0 99 406 A P T 3 S+ 0 0 56 0, 0.0 3,-0.2 0, 0.0 -75,-0.1 0.808 128.9 42.3 -57.5 -25.8 -12.1 -11.4 -8.8 100 407 A N T 3 S+ 0 0 57 1,-0.2 2,-0.1 -4,-0.1 -76,-0.1 0.031 109.5 63.5-103.8 23.6 -9.1 -13.7 -9.1 101 408 A L E < +A 98 0A 5 -3,-2.7 -4,-1.8 2,-0.0 -3,-0.9 -0.565 57.6 162.6-147.2 75.5 -8.7 -14.2 -5.3 102 409 A L E -A 96 0A 55 -6,-0.2 2,-0.4 -3,-0.2 -6,-0.2 -0.858 21.6-162.7 -94.2 128.2 -11.7 -15.9 -3.8 103 410 A L E -A 95 0A 1 -8,-2.2 -8,-2.0 -2,-0.5 2,-0.2 -0.955 11.2-146.3-123.6 135.4 -10.9 -17.3 -0.3 104 411 A D >> - 0 0 60 -2,-0.4 3,-1.2 -10,-0.2 4,-0.5 -0.497 33.1-112.0 -82.4 160.9 -12.6 -19.8 2.0 105 412 A R H >> S+ 0 0 94 -12,-0.5 3,-1.0 1,-0.2 4,-0.9 0.793 116.0 72.9 -59.0 -29.8 -12.6 -19.6 5.8 106 413 A N H 3> S+ 0 0 89 1,-0.3 4,-0.5 2,-0.2 3,-0.4 0.824 95.3 49.1 -55.8 -33.3 -10.3 -22.7 5.5 107 414 A Q H <> S+ 0 0 37 -3,-1.2 4,-0.5 1,-0.2 -1,-0.3 0.658 97.0 70.7 -81.1 -17.1 -7.5 -20.4 4.3 108 415 A G H X< S+ 0 0 0 -3,-1.0 3,-0.7 -4,-0.5 7,-0.5 0.785 88.1 64.5 -66.1 -28.6 -8.2 -18.1 7.2 109 416 A K H 3< S+ 0 0 108 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.924 86.4 73.1 -57.5 -46.3 -6.7 -20.8 9.4 110 417 A X H 3< S+ 0 0 110 -4,-0.5 2,-0.4 -3,-0.1 -78,-0.3 0.802 94.4 57.8 -34.2 -47.6 -3.4 -20.3 7.6 111 418 A V S XX S- 0 0 4 -3,-0.7 3,-1.3 -4,-0.5 2,-0.7 -0.762 98.9-108.5 -96.5 141.4 -3.0 -17.0 9.4 112 419 A E T 34 S- 0 0 130 -2,-0.4 -3,-0.1 1,-0.2 -2,-0.1 -0.533 99.0 -2.8 -74.1 107.8 -2.9 -16.8 13.2 113 420 A G T 34 S+ 0 0 22 -2,-0.7 4,-0.4 -4,-0.2 -1,-0.2 0.408 103.5 104.5 97.2 0.5 -6.2 -15.2 14.5 114 421 A M T <> + 0 0 28 -3,-1.3 4,-2.5 -6,-0.5 3,-0.4 0.725 60.7 72.2 -89.0 -23.5 -7.6 -14.4 11.1 115 422 A V H X S+ 0 0 23 -4,-0.5 4,-2.1 -7,-0.5 -1,-0.2 0.825 94.9 56.9 -63.4 -31.7 -10.3 -17.1 10.9 116 423 A E H > S+ 0 0 122 2,-0.2 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4,-0.5 1,-0.2 -1,-0.2 0.947 118.4 35.8 -54.7 -53.7 -16.4 7.9 6.4 147 454 A L H < S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.799 124.8 40.8 -76.2 -30.5 -18.2 10.9 7.9 148 455 A N H >< S+ 0 0 7 -4,-2.7 3,-1.5 -5,-0.2 4,-0.4 0.830 94.3 73.0 -88.2 -36.2 -19.4 9.2 11.0 149 456 A S H 3< S+ 0 0 1 -4,-2.4 3,-0.2 -5,-0.3 -3,-0.1 0.856 114.7 21.1 -62.4 -39.0 -16.6 7.0 12.3 150 457 A G T >< S+ 0 0 0 -4,-0.5 3,-0.5 -5,-0.2 -1,-0.3 0.207 93.8 108.0-105.4 14.7 -14.3 9.7 13.6 151 458 A V T < S+ 0 0 19 -3,-1.5 3,-0.5 1,-0.2 -1,-0.1 0.718 71.2 57.8 -68.2 -21.6 -16.9 12.4 13.9 152 459 A Y T 3 S+ 0 0 18 -4,-0.4 2,-0.9 1,-0.2 -1,-0.2 0.838 87.2 73.1 -80.6 -31.9 -17.1 12.4 17.8 153 460 A T < 0 0 80 -3,-0.5 -1,-0.2 -83,-0.0 -2,-0.1 0.080 360.0 360.0 -68.3 29.2 -13.4 13.2 18.2 154 461 A F 0 0 107 -2,-0.9 -3,-0.0 -3,-0.5 -87,-0.0 -0.901 360.0 360.0-114.1 360.0 -14.6 16.6 17.0 155 ! 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 0.0 156 473 A D > 0 0 114 0, 0.0 4,-3.9 0, 0.0 5,-0.4 0.000 360.0 360.0 360.0 -59.9 -22.6 20.4 12.5 157 474 A H H > + 0 0 43 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.901 360.0 48.7 -46.9 -42.0 -21.9 20.7 8.8 158 475 A I H > S+ 0 0 10 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.857 112.1 46.0 -70.0 -35.7 -20.7 17.1 9.0 159 476 A H H > S+ 0 0 41 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.843 112.3 51.9 -78.4 -28.5 -23.8 16.0 11.0 160 477 A R H X S+ 0 0 118 -4,-3.9 4,-1.8 2,-0.2 -2,-0.2 0.821 108.4 51.6 -67.3 -33.0 -26.0 17.9 8.5 161 478 A V H X S+ 0 0 3 -4,-1.8 4,-1.5 -5,-0.4 -2,-0.2 0.922 108.0 51.4 -70.3 -38.1 -24.2 16.1 5.8 162 479 A L H X S+ 0 0 10 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.893 108.2 52.0 -64.9 -37.8 -25.0 12.8 7.6 163 480 A D H X S+ 0 0 17 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.876 104.8 56.1 -62.0 -42.3 -28.6 13.8 7.7 164 481 A K H X S+ 0 0 25 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.852 108.2 48.6 -56.1 -38.0 -28.5 14.4 4.0 165 482 A I H X S+ 0 0 2 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.919 109.8 50.4 -75.0 -43.5 -27.3 10.8 3.5 166 483 A T H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.941 110.1 51.2 -48.2 -50.0 -30.1 9.4 5.8 167 484 A D H X S+ 0 0 40 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.912 110.1 51.1 -58.5 -39.0 -32.5 11.5 3.7 168 485 A T H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.908 107.7 49.9 -65.5 -44.8 -30.9 9.8 0.6 169 486 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.923 112.2 48.4 -58.2 -49.8 -31.3 6.2 1.9 170 487 A I H X S+ 0 0 21 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.879 108.5 54.5 -55.1 -46.7 -34.9 6.8 2.7 171 488 A H H X S+ 0 0 61 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.897 108.8 49.5 -55.8 -40.5 -35.5 8.3 -0.7 172 489 A L H X S+ 0 0 19 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.911 111.8 46.8 -65.4 -43.8 -34.0 5.1 -2.2 173 490 A M H <>S+ 0 0 1 -4,-2.2 5,-2.1 2,-0.2 -2,-0.2 0.879 113.5 48.0 -67.6 -39.7 -36.2 2.8 -0.2 174 491 A A H ><5S+ 0 0 47 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.910 110.0 52.9 -64.2 -43.3 -39.3 4.8 -1.0 175 492 A K H 3<5S+ 0 0 135 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.826 106.5 55.0 -57.1 -31.7 -38.3 4.8 -4.7 176 493 A A T 3<5S- 0 0 76 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 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54.7 -71.7 -34.7 -34.8 -1.2 7.0 187 504 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.904 111.0 47.4 -59.4 -41.7 -32.9 2.0 7.9 188 505 A A H X S+ 0 0 1 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.917 109.8 51.1 -66.9 -47.0 -32.4 0.6 11.4 189 506 A Q H X S+ 0 0 35 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.897 112.1 47.9 -57.2 -42.6 -31.2 -2.8 10.1 190 507 A L H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 3,-0.5 0.926 112.0 46.9 -65.3 -48.6 -28.7 -1.2 7.8 191 508 A L H X S+ 0 0 2 -4,-2.0 4,-0.5 1,-0.2 3,-0.3 0.781 106.0 59.4 -69.0 -28.2 -27.2 1.2 10.4 192 509 A L H >X S+ 0 0 9 -4,-1.9 3,-1.0 1,-0.2 4,-0.9 0.829 96.5 62.6 -67.0 -29.5 -27.0 -1.6 13.0 193 510 A I H 3X S+ 0 0 1 -4,-1.0 4,-2.1 -3,-0.5 3,-0.4 0.839 92.4 65.2 -64.8 -30.7 -24.7 -3.4 10.7 194 511 A L H 3X S+ 0 0 3 -4,-0.8 4,-2.4 -3,-0.3 -1,-0.3 0.758 94.7 58.2 -62.5 -28.9 -22.2 -0.5 10.9 195 512 A S H S+ 0 0 7 -4,-1.6 5,-1.0 2,-0.2 6,-0.4 0.828 108.4 56.7 -76.6 -32.8 1.2 -9.1 12.4 212 529 A K H ><5S+ 0 0 58 -4,-2.1 3,-1.2 2,-0.2 -2,-0.2 0.966 111.9 43.7 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125.5 55.4 -62.5 -34.9 -4.0 5.5 39.7 268 340 B A H > S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 3,-0.5 0.983 111.2 38.6 -55.8 -66.2 -4.2 1.9 40.7 269 341 B S H > S+ 0 0 43 1,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.806 112.9 57.7 -62.2 -32.2 -6.7 2.3 43.6 270 342 B M H X S+ 0 0 35 -4,-2.6 4,-1.0 1,-0.2 -1,-0.3 0.891 109.9 45.5 -60.1 -39.4 -8.6 4.9 41.6 271 343 B M H X S+ 0 0 26 -4,-1.8 4,-2.6 -3,-0.5 -2,-0.2 0.840 105.4 60.6 -71.7 -33.6 -9.0 2.3 39.0 272 344 B G H X S+ 0 0 11 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.860 101.4 54.8 -59.3 -36.6 -10.0 -0.3 41.6 273 345 B L H X S+ 0 0 11 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.894 110.6 44.9 -61.5 -44.0 -13.0 1.9 42.5 274 346 B L H X S+ 0 0 22 -4,-1.0 4,-2.7 2,-0.2 -2,-0.2 0.904 115.4 45.3 -69.3 -43.3 -14.1 1.9 38.9 275 347 B T H X S+ 0 0 16 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.873 113.0 51.9 -69.8 -36.1 -13.6 -1.9 38.4 276 348 B N H X S+ 0 0 64 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.927 112.2 46.3 -62.1 -43.9 -15.3 -2.5 41.7 277 349 B L H X S+ 0 0 5 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.921 111.2 51.8 -64.0 -45.7 -18.2 -0.4 40.6 278 350 B A H X S+ 0 0 19 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.902 107.4 53.5 -57.9 -41.5 -18.4 -2.1 37.2 279 351 B D H X S+ 0 0 38 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.896 111.6 43.9 -62.2 -43.2 -18.5 -5.5 38.8 280 352 B R H X S+ 0 0 72 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.895 112.5 52.7 -70.2 -38.8 -21.5 -4.6 41.0 281 353 B E H X S+ 0 0 28 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.883 103.8 59.2 -61.8 -39.5 -23.2 -2.9 38.0 282 354 B L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.878 100.3 53.6 -54.4 -45.4 -22.7 -6.1 36.1 283 355 B V H X S+ 0 0 61 -4,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.942 113.0 44.7 -58.8 -44.2 -24.7 -8.2 38.6 284 356 B H H X S+ 0 0 78 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.897 111.1 54.4 -63.6 -39.9 -27.6 -5.7 38.2 285 357 B M H X S+ 0 0 7 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.917 103.6 54.6 -62.4 -44.1 -27.2 -5.7 34.4 286 358 B I H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.872 112.4 43.6 -58.6 -38.8 -27.5 -9.5 34.1 287 359 B N H < S+ 0 0 70 -4,-1.4 -1,-0.2 -5,-0.2 4,-0.2 0.800 111.2 54.1 -80.0 -29.5 -30.8 -9.3 36.0 288 360 B W H >< S+ 0 0 6 -4,-2.3 3,-2.0 1,-0.2 4,-0.4 0.892 103.0 58.4 -61.1 -43.4 -32.0 -6.3 33.9 289 361 B A H >< S+ 0 0 0 -4,-2.9 3,-1.5 1,-0.3 6,-0.2 0.879 96.2 62.5 -54.8 -41.1 -31.3 -8.3 30.7 290 362 B K T 3< S+ 0 0 50 -4,-1.0 6,-0.3 1,-0.3 -1,-0.3 0.678 104.4 48.9 -55.5 -20.3 -33.7 -11.0 31.9 291 363 B R T < S+ 0 0 143 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.432 81.1 108.9-106.5 -2.4 -36.5 -8.3 31.7 292 364 B V S X> S- 0 0 4 -3,-1.5 3,-2.4 -4,-0.4 4,-0.5 -0.675 87.0-100.5 -73.3 118.3 -35.7 -7.0 28.2 293 365 B P T 34 S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.186 105.6 11.9 -41.1 117.3 -38.6 -8.2 26.0 294 366 B G T 34 S+ 0 0 8 -4,-0.1 4,-0.4 4,-0.0 3,-0.3 0.106 98.9 100.1 101.9 -21.6 -37.4 -11.3 24.0 295 367 B F T X4 S+ 0 0 0 -3,-2.4 3,-1.6 1,-0.2 -5,-0.1 0.920 80.6 49.9 -66.8 -47.6 -34.2 -12.0 26.0 296 368 B V T 3< S+ 0 0 86 -4,-0.5 -1,-0.2 -6,-0.3 -6,-0.1 0.715 98.5 70.2 -65.7 -18.9 -35.6 -14.8 28.2 297 369 B D T 3 S+ 0 0 79 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389 B I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.888 112.3 52.2 -60.3 -36.5 -23.8 3.9 27.5 318 390 B G H X S+ 0 0 11 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.911 110.1 47.4 -61.9 -42.2 -25.2 3.9 31.1 319 391 B L H X S+ 0 0 12 -4,-1.8 4,-1.3 2,-0.2 12,-0.5 0.903 112.8 48.1 -67.2 -42.5 -22.2 6.0 32.3 320 392 B V H X S+ 0 0 0 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.881 111.7 51.6 -64.2 -39.6 -22.6 8.4 29.4 321 393 B W H >< S+ 0 0 69 -4,-2.3 3,-1.3 -5,-0.2 4,-0.3 0.961 110.4 47.1 -61.4 -51.9 -26.3 8.6 30.1 322 394 B R H 3< S+ 0 0 24 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.719 112.2 52.7 -56.3 -30.1 -25.6 9.4 33.8 323 395 B S H >< S+ 0 0 0 -4,-1.3 3,-2.3 1,-0.2 6,-0.3 0.493 77.4 103.1 -90.6 -5.4 -23.1 12.1 32.8 324 396 B M T << S+ 0 0 18 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.1 0.822 83.1 43.7 -44.4 -46.9 -25.3 14.0 30.4 325 397 B E T 3 S+ 0 0 148 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.159 102.3 72.3 -94.4 17.9 -26.0 16.9 32.7 326 398 B H S X S- 0 0 54 -3,-2.3 3,-2.3 3,-0.2 -1,-0.2 -0.596 76.9-155.2-128.9 71.4 -22.4 17.2 33.9 327 399 B P T 3 S+ 0 0 80 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.132 78.4 17.8 -52.3 134.6 -20.5 18.7 30.9 328 400 B G T 3 S+ 0 0 40 1,-0.2 12,-0.9 29,-0.2 2,-0.3 0.435 115.7 81.3 83.1 -1.6 -16.8 17.9 31.0 329 401 B K E < -B 339 0B 82 -3,-2.3 2,-0.5 -6,-0.3 10,-0.2 -0.940 67.1-132.8-138.8 164.7 -17.2 15.0 33.4 330 402 B L E -B 338 0B 0 8,-2.2 8,-2.2 -2,-0.3 2,-1.2 -0.954 16.0-149.9-111.3 121.2 -18.1 11.4 33.9 331 403 B L E +B 337 0B 18 -2,-0.5 6,-0.2 -12,-0.5 -9,-0.1 -0.714 26.2 165.6 -92.2 83.0 -20.6 10.5 36.7 332 404 B F E S- 0 0 24 4,-1.3 -77,-0.2 -2,-1.2 -1,-0.2 0.889 77.2 -8.9 -64.3 -37.8 -19.4 7.0 37.6 333 405 B A E > S-B 336 0B 0 3,-1.5 3,-2.2 -3,-0.2 -1,-0.2 -0.956 77.9-101.3-150.4 161.9 -21.4 7.4 40.8 334 406 B P T 3 S+ 0 0 56 0, 0.0 3,-0.1 0, 0.0 -78,-0.1 0.830 128.3 40.3 -54.0 -31.9 -23.3 10.3 42.6 335 407 B N T 3 S+ 0 0 59 1,-0.2 2,-0.2 -4,-0.0 -79,-0.1 0.067 111.1 65.4-102.2 19.3 -20.3 10.6 44.9 336 408 B L E < +B 333 0B 2 -3,-2.2 -3,-1.5 2,-0.0 -4,-1.3 -0.681 56.2 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0, 0.0 0.000 360.0 360.0 360.0 39.6 5.2 14.2 6.8 469 688 C K >> - 0 0 79 1,-0.1 4,-1.2 3,-0.1 3,-0.6 -0.256 360.0-138.7 -60.0 132.6 2.2 11.8 6.6 470 689 C I H 3> S+ 0 0 33 1,-0.2 4,-2.8 2,-0.2 3,-0.5 0.884 105.4 58.4 -52.8 -42.4 1.8 10.1 3.2 471 690 C L H 3> S+ 0 0 3 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.859 99.6 58.1 -59.1 -37.5 -2.0 10.6 3.6 472 691 C H H <4 S+ 0 0 58 -3,-0.6 4,-0.3 1,-0.2 -1,-0.3 0.860 111.6 41.5 -59.9 -39.6 -1.4 14.3 3.8 473 692 C R H >X S+ 0 0 134 -4,-1.2 4,-2.3 -3,-0.5 3,-1.4 0.933 113.9 51.1 -70.9 -46.2 0.3 14.3 0.5 474 693 C L H 3< S+ 0 0 26 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.749 105.4 55.3 -70.5 -25.9 -2.2 11.9 -1.2 475 694 C L T 3< S+ 0 0 12 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.616 112.7 45.5 -74.9 -15.7 -5.3 13.9 -0.1 476 695 C Q T <4 0 0 142 -3,-1.4 -2,-0.2 -4,-0.3 -1,-0.1 0.872 360.0 360.0 -95.3 -46.1 -3.7 16.9 -1.8 477 696 C D < 0 0 142 -4,-2.3 -2,-0.1 0, 0.0 -3,-0.1 0.934 360.0 360.0 -48.3 360.0 -2.6 15.3 -5.1 478 !* 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 0.0 479 688 D K > 0 0 105 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 168.8 -18.9 -20.0 34.3 480 689 D I H > + 0 0 57 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.867 360.0 49.9 -66.1 -38.6 -20.2 -17.2 36.6 481 690 D L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.856 106.2 57.5 -65.9 -38.8 -22.5 -15.5 34.1 482 691 D H H > S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.935 111.6 41.5 -57.6 -46.9 -24.0 -18.9 33.3 483 692 D R H X S+ 0 0 156 -4,-1.7 4,-1.1 1,-0.2 -2,-0.2 0.860 112.3 53.5 -73.1 -37.9 -25.0 -19.3 36.9 484 693 D L H < S+ 0 0 40 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.890 109.5 50.8 -61.5 -39.3 -26.1 -15.7 37.4 485 694 D L H < S+ 0 0 7 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.885 114.0 40.4 -67.2 -42.7 -28.4 -16.0 34.4 486 695 D Q H < 0 0 116 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.529 360.0 360.0 -88.6 -7.0 -30.2 -19.2 35.4 487 696 D D < 0 0 103 -4,-1.1 -4,-0.0 -5,-0.1 -3,-0.0 -0.652 360.0 360.0 -72.2 360.0 -30.4 -18.2 39.1