==== 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 30-JUL-07 2QSE . COMPND 2 MOLECULE: ESTROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.W.NETTLES,J.B.BRUNING . 501 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21029.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 379 75.6 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 . 12 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 . 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 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 303 60.5 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 2 1 0 0 3 0 1 1 0 0 2 0 0 1 1 0 0 0 0 0 2 2 1 1 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 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 86 0, 0.0 4,-1.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -42.2 28.2 -19.2 1.8 2 306 A L H >> + 0 0 68 1,-0.2 4,-1.4 2,-0.2 3,-0.7 0.916 360.0 51.6 -51.5 -47.2 29.5 -16.6 -0.7 3 307 A A H 34 S+ 0 0 0 1,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.842 105.9 52.2 -61.9 -40.6 27.9 -13.7 1.3 4 308 A L H 34 S+ 0 0 58 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.752 112.1 48.1 -72.3 -20.1 29.4 -14.7 4.6 5 309 A S H << S+ 0 0 92 -4,-1.3 -2,-0.2 -3,-0.7 -1,-0.2 0.698 87.9 105.5 -90.7 -24.2 32.9 -14.8 3.0 6 310 A L < - 0 0 37 -4,-1.4 2,-0.1 -5,-0.2 -3,-0.0 -0.240 69.0-126.8 -53.4 140.5 32.7 -11.4 1.2 7 311 A T > - 0 0 73 1,-0.1 4,-2.3 169,-0.0 5,-0.2 -0.465 30.6-103.0 -75.5 161.0 34.6 -8.4 2.6 8 312 A A H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.915 125.0 49.5 -47.1 -47.0 32.8 -5.2 3.4 9 313 A D H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.861 111.0 48.7 -67.5 -34.1 34.2 -3.7 0.2 10 314 A Q H > S+ 0 0 101 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.789 108.6 53.3 -74.3 -34.0 33.2 -6.7 -1.9 11 315 A M H X S+ 0 0 4 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.936 111.2 46.7 -61.4 -50.7 29.7 -6.6 -0.5 12 316 A V H X S+ 0 0 10 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.946 113.8 47.4 -56.8 -50.7 29.4 -2.9 -1.5 13 317 A S H X S+ 0 0 61 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.921 112.4 50.4 -58.7 -44.0 30.8 -3.6 -5.0 14 318 A A H X S+ 0 0 29 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.927 113.2 45.5 -58.0 -47.5 28.4 -6.6 -5.4 15 319 A L H X S+ 0 0 1 -4,-2.7 4,-0.5 2,-0.2 -2,-0.2 0.895 113.7 48.6 -66.8 -38.9 25.4 -4.4 -4.3 16 320 A L H >< S+ 0 0 70 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.930 112.2 49.5 -64.3 -44.1 26.5 -1.5 -6.6 17 321 A D H 3< S+ 0 0 108 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.852 107.4 55.9 -63.4 -35.5 26.9 -3.9 -9.5 18 322 A A H 3< S+ 0 0 4 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.556 78.4 128.4 -73.0 -11.4 23.5 -5.4 -8.8 19 323 A E << - 0 0 61 -3,-1.2 -3,-0.1 -4,-0.5 31,-0.0 -0.154 59.0-123.1 -54.8 136.1 21.6 -2.1 -9.1 20 324 A P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.266 31.5 -99.6 -72.1 161.8 18.6 -2.0 -11.5 21 325 A P - 0 0 72 0, 0.0 2,-0.6 0, 0.0 28,-0.1 -0.368 33.5-108.0 -75.9 163.5 18.5 0.5 -14.3 22 326 A I - 0 0 107 -2,-0.1 2,-0.2 76,-0.0 76,-0.1 -0.839 41.9-152.2 -87.2 124.9 16.4 3.7 -14.1 23 327 A L - 0 0 29 -2,-0.6 2,-0.3 74,-0.2 19,-0.0 -0.635 4.0-124.9-102.0 159.1 13.4 3.4 -16.3 24 328 A Y - 0 0 131 -2,-0.2 2,-0.1 74,-0.2 74,-0.0 -0.670 17.6-124.2 -97.7 153.1 11.3 5.9 -18.2 25 329 A S 0 0 10 -2,-0.3 -1,-0.1 1,-0.2 14,-0.1 -0.346 360.0 360.0 -80.0 167.4 7.6 6.5 -18.2 26 330 A E 0 0 130 12,-0.1 -1,-0.2 -2,-0.1 16,-0.0 -0.342 360.0 360.0 -64.9 360.0 5.4 6.5 -21.3 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 28 335 A R 0 0 141 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -88.1 -0.4 16.1 -22.9 29 336 A P - 0 0 122 0, 0.0 2,-0.1 0, 0.0 5,-0.1 0.001 360.0-107.8 -41.9 148.0 -2.1 17.1 -19.5 30 337 A F - 0 0 99 4,-0.1 2,-0.3 3,-0.0 3,-0.0 -0.429 25.5-166.2 -77.9 150.9 -2.8 14.5 -16.9 31 338 A S > - 0 0 60 -2,-0.1 4,-2.0 1,-0.0 5,-0.1 -0.738 42.3-102.6-113.6 175.4 -6.1 13.1 -15.8 32 339 A E H > S+ 0 0 81 -2,-0.3 4,-1.7 2,-0.2 5,-0.2 0.892 125.2 45.4 -61.0 -39.1 -6.6 11.0 -12.6 33 340 A A H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.923 110.8 49.0 -72.3 -48.8 -6.6 7.9 -14.8 34 341 A S H > S+ 0 0 47 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.942 111.0 55.1 -57.3 -47.5 -3.6 8.8 -17.1 35 342 A M H X S+ 0 0 20 -4,-2.0 4,-1.8 1,-0.2 3,-0.4 0.950 110.8 38.9 -46.8 -70.0 -1.6 9.5 -13.9 36 343 A M H X S+ 0 0 12 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.796 112.6 58.4 -60.1 -31.4 -2.0 6.2 -12.1 37 344 A G H X S+ 0 0 21 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.926 105.9 49.1 -62.5 -44.2 -1.7 4.2 -15.3 38 345 A L H X S+ 0 0 32 -4,-2.4 4,-1.9 -3,-0.4 -2,-0.2 0.900 114.4 46.1 -58.4 -43.2 1.7 5.8 -15.9 39 346 A L H X S+ 0 0 22 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.888 115.3 43.8 -69.5 -43.6 2.7 4.9 -12.3 40 347 A T H X S+ 0 0 12 -4,-2.8 4,-2.2 2,-0.2 188,-0.2 0.827 112.8 52.9 -74.3 -30.6 1.4 1.3 -12.3 41 348 A N H X S+ 0 0 63 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.927 112.7 45.5 -67.0 -43.3 2.9 0.7 -15.7 42 349 A L H X S+ 0 0 4 -4,-1.9 4,-2.9 -5,-0.2 -2,-0.2 0.931 111.2 52.0 -61.8 -50.6 6.2 1.9 -14.4 43 350 A A H X S+ 0 0 16 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.912 107.9 52.6 -52.0 -47.3 5.9 -0.2 -11.2 44 351 A D H X S+ 0 0 40 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.933 111.2 45.5 -59.5 -45.5 5.2 -3.3 -13.3 45 352 A R H X S+ 0 0 67 -4,-1.9 4,-1.4 1,-0.2 3,-0.3 0.920 112.7 51.7 -66.5 -40.1 8.3 -2.8 -15.4 46 353 A E H X S+ 0 0 37 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.843 102.1 60.7 -60.5 -36.5 10.4 -2.0 -12.3 47 354 A L H X S+ 0 0 2 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.879 100.3 53.9 -61.3 -38.3 9.2 -5.2 -10.6 48 355 A V H X S+ 0 0 64 -4,-1.2 4,-1.2 -3,-0.3 3,-0.3 0.957 112.3 44.3 -62.7 -45.5 10.8 -7.3 -13.4 49 356 A H H X S+ 0 0 68 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.824 106.7 61.4 -64.7 -34.1 14.1 -5.7 -12.8 50 357 A M H X S+ 0 0 7 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.860 99.3 56.4 -57.5 -40.0 13.7 -6.0 -9.0 51 358 A I H X S+ 0 0 2 -4,-1.6 4,-2.0 -3,-0.3 -1,-0.2 0.946 107.6 47.0 -63.0 -44.2 13.6 -9.8 -9.3 52 359 A N H X S+ 0 0 80 -4,-1.2 4,-0.6 1,-0.2 -1,-0.2 0.891 113.0 49.9 -61.8 -40.2 17.0 -9.8 -11.1 53 360 A W H >X S+ 0 0 5 -4,-1.9 3,-1.7 1,-0.2 4,-0.6 0.934 107.1 53.5 -63.2 -46.6 18.4 -7.5 -8.5 54 361 A A H >< S+ 0 0 0 -4,-3.0 3,-1.7 1,-0.3 6,-0.2 0.918 103.1 57.6 -59.0 -39.8 17.2 -9.6 -5.7 55 362 A K H 3< S+ 0 0 51 -4,-2.0 6,-0.3 1,-0.3 -1,-0.3 0.723 107.1 50.5 -63.4 -18.9 18.9 -12.7 -7.2 56 363 A R H << S+ 0 0 142 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.438 80.2 107.1 -99.2 -3.8 22.2 -10.7 -7.0 57 364 A V S XX S- 0 0 2 -3,-1.7 3,-2.3 -4,-0.6 4,-0.5 -0.679 86.7-106.6 -72.4 119.0 21.8 -9.7 -3.3 58 365 A P T 34 S+ 0 0 19 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.248 103.6 18.4 -53.1 133.3 24.4 -11.9 -1.6 59 366 A G T >4 S+ 0 0 6 -4,-0.1 3,-0.9 4,-0.0 4,-0.4 -0.060 98.4 97.5 98.1 -32.4 22.7 -14.6 0.4 60 367 A F G X4 S+ 0 0 0 -3,-2.3 3,-1.4 1,-0.3 -5,-0.1 0.890 80.8 50.1 -65.8 -40.4 19.3 -14.4 -1.5 61 368 A V G 3< S+ 0 0 86 -4,-0.5 -1,-0.3 -6,-0.3 -6,-0.1 0.667 97.9 70.2 -76.4 -9.0 19.9 -17.3 -3.9 62 369 A D G < S+ 0 0 74 -3,-0.9 -1,-0.3 2,-0.1 -2,-0.2 0.710 88.6 86.1 -68.9 -21.6 20.9 -19.5 -1.0 63 370 A L S < S- 0 0 9 -3,-1.4 2,-0.0 -4,-0.4 -4,-0.0 -0.367 91.4 -96.9 -79.9 159.2 17.2 -19.4 0.1 64 371 A T > - 0 0 59 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.357 33.4-111.6 -69.7 156.5 14.5 -21.7 -1.2 65 372 A L H > S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.880 120.0 54.0 -55.4 -38.9 12.3 -20.5 -4.0 66 373 A H H > S+ 0 0 126 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.902 109.4 46.7 -63.1 -44.5 9.3 -20.3 -1.5 67 374 A D H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.885 111.1 52.0 -64.8 -38.3 11.3 -18.1 0.8 68 375 A Q H X S+ 0 0 17 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.921 110.4 48.5 -62.9 -44.6 12.4 -15.9 -2.0 69 376 A V H X S+ 0 0 10 -4,-2.4 4,-3.2 -5,-0.2 5,-0.2 0.954 111.6 49.8 -58.1 -49.3 8.8 -15.4 -3.2 70 377 A H H X S+ 0 0 39 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.909 111.5 47.9 -58.9 -48.1 7.7 -14.6 0.4 71 378 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.916 115.0 44.9 -61.5 -45.8 10.4 -12.0 0.9 72 379 A L H X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.928 111.4 53.0 -65.2 -43.4 9.7 -10.3 -2.4 73 380 A E H < S+ 0 0 32 -4,-3.2 4,-0.2 1,-0.2 -2,-0.2 0.874 115.7 41.4 -56.2 -38.1 5.9 -10.4 -1.9 74 381 A C H < S+ 0 0 17 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.897 124.8 34.0 -74.3 -39.7 6.4 -8.7 1.5 75 382 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.541 83.2 98.7 -96.7 -15.1 9.0 -6.2 0.4 76 383 A W H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.827 88.6 41.9 -56.6 -41.3 8.3 -5.1 -3.2 77 384 A L H > S+ 0 0 20 -4,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.886 114.0 53.2 -74.8 -36.4 6.5 -1.8 -2.5 78 385 A E H > S+ 0 0 2 -4,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.912 110.5 48.3 -57.4 -43.4 9.0 -0.9 0.2 79 386 A I H X S+ 0 0 10 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.927 112.0 47.7 -66.7 -45.3 11.8 -1.5 -2.3 80 387 A L H X S+ 0 0 20 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.903 114.3 48.9 -58.8 -42.8 10.0 0.6 -5.0 81 388 A M H X S+ 0 0 16 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.882 108.8 49.2 -68.1 -41.6 9.4 3.4 -2.5 82 389 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.932 112.3 50.9 -66.1 -38.0 13.0 3.5 -1.1 83 390 A G H X S+ 0 0 10 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.931 110.8 48.7 -58.6 -47.2 14.2 3.7 -4.8 84 391 A L H X S+ 0 0 10 -4,-2.2 4,-1.9 2,-0.2 12,-0.5 0.945 112.1 47.8 -59.0 -50.0 11.8 6.5 -5.5 85 392 A V H X S+ 0 0 0 -4,-2.7 4,-0.9 2,-0.2 -2,-0.2 0.939 112.2 50.6 -55.0 -50.9 12.9 8.5 -2.4 86 393 A W H >< S+ 0 0 68 -4,-2.9 3,-1.0 1,-0.2 4,-0.3 0.932 110.8 47.6 -54.1 -51.2 16.6 7.9 -3.3 87 394 A R H 3< S+ 0 0 43 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.817 113.3 50.3 -59.4 -33.1 16.1 9.2 -6.9 88 395 A S H >< S+ 0 0 0 -4,-1.9 3,-2.5 -5,-0.2 6,-0.3 0.560 79.6 100.1 -83.2 -9.5 14.2 12.2 -5.6 89 396 A M T << S+ 0 0 33 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.1 0.833 86.3 44.0 -43.5 -51.2 16.9 13.3 -2.9 90 397 A E T 3 S+ 0 0 73 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.258 103.1 71.6 -83.6 9.1 18.4 16.0 -5.0 91 398 A H S X S- 0 0 67 -3,-2.5 3,-2.1 3,-0.2 -1,-0.2 -0.622 77.7-153.5-126.6 72.2 14.9 17.4 -6.2 92 399 A P T 3 S+ 0 0 82 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.177 78.9 11.2 -50.3 129.3 13.4 19.1 -3.1 93 400 A G T 3 S+ 0 0 45 1,-0.2 12,-0.8 27,-0.2 2,-0.3 0.472 115.1 90.9 83.9 1.5 9.6 19.1 -3.2 94 401 A K E < -A 104 0A 86 -3,-2.1 2,-0.5 -6,-0.3 10,-0.2 -0.923 64.8-141.6-131.3 152.9 9.4 16.6 -6.1 95 402 A L E -A 103 0A 0 8,-2.9 8,-2.8 -2,-0.3 2,-1.3 -0.985 14.1-148.4-113.7 123.2 9.3 12.9 -6.6 96 403 A L E +A 102 0A 22 -2,-0.5 6,-0.2 -12,-0.5 -9,-0.1 -0.721 27.2 165.7 -92.6 84.1 11.3 11.6 -9.6 97 404 A F E S- 0 0 21 4,-1.5 -1,-0.2 -2,-1.3 -74,-0.2 0.897 77.1 -14.0 -65.9 -41.3 9.2 8.7 -10.6 98 405 A A E > S-A 101 0A 0 3,-1.9 3,-2.5 -3,-0.2 -1,-0.3 -0.957 78.3 -97.8-150.2 166.7 11.2 8.6 -13.8 99 406 A P T 3 S+ 0 0 59 0, 0.0 3,-0.2 0, 0.0 -75,-0.1 0.792 129.4 41.2 -60.4 -22.3 13.6 11.0 -15.5 100 407 A N T 3 S+ 0 0 79 1,-0.2 2,-0.2 -4,-0.0 -76,-0.1 0.046 112.5 58.3-108.9 22.7 10.7 12.2 -17.6 101 408 A L E < +A 98 0A 11 -3,-2.5 -3,-1.9 2,-0.0 -4,-1.5 -0.656 58.5 158.8-153.3 83.4 8.1 12.1 -14.8 102 409 A L E -A 96 0A 67 -6,-0.2 2,-0.4 -5,-0.2 -6,-0.2 -0.978 24.3-166.7-111.5 110.2 9.2 14.4 -12.0 103 410 A L E -A 95 0A 14 -8,-2.8 -8,-2.9 -2,-0.6 2,-0.2 -0.820 12.4-147.2-112.0 138.7 6.1 15.2 -10.1 104 411 A D E -A 94 0A 96 -2,-0.4 -10,-0.2 -10,-0.2 -11,-0.1 -0.500 27.9-109.5 -93.7 171.8 5.3 17.9 -7.4 105 412 A R 0 0 119 -12,-0.8 11,-0.1 1,-0.2 12,-0.1 0.953 360.0 360.0 -64.6 -57.0 2.9 17.6 -4.4 106 413 A N 0 0 104 2,-0.1 -1,-0.2 7,-0.0 -2,-0.0 -0.941 360.0 360.0-117.5 360.0 -0.0 19.9 -5.3 107 ! 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 0.0 108 417 A C 0 0 124 0, 0.0 2,-0.6 0, 0.0 -73,-0.1 0.000 360.0 360.0 360.0 1.8 -5.1 14.9 -8.2 109 418 A V > - 0 0 11 -74,-0.1 3,-2.7 -76,-0.0 4,-0.5 -0.978 360.0-109.8-104.5 117.4 -5.3 11.1 -7.5 110 419 A E T 3 S+ 0 0 159 -2,-0.6 0, 0.0 1,-0.3 0, 0.0 -0.272 102.2 6.9 -50.6 115.2 -7.9 10.6 -4.7 111 420 A G T 3> S+ 0 0 32 -2,-0.0 4,-0.7 4,-0.0 3,-0.4 0.155 100.0 103.9 100.9 -15.6 -5.7 9.5 -1.7 112 421 A M H <> + 0 0 24 -3,-2.7 4,-3.2 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0.915 113.5 45.5 -58.6 -43.0 24.0 7.1 15.9 194 503 A R H X S+ 0 0 38 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.906 109.4 55.0 -72.7 -38.8 23.9 7.1 12.2 195 504 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.947 110.8 46.3 -57.0 -48.0 23.2 3.4 11.9 196 505 A A H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.910 110.1 53.6 -61.2 -42.1 20.2 3.9 14.2 197 506 A Q H X S+ 0 0 32 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.928 110.6 46.3 -60.4 -47.1 19.0 6.9 12.2 198 507 A L H X S+ 0 0 0 -4,-2.6 4,-0.9 1,-0.2 3,-0.4 0.910 112.9 48.3 -63.2 -45.5 19.1 5.0 8.9 199 508 A L H X S+ 0 0 3 -4,-2.4 4,-0.5 -5,-0.2 3,-0.4 0.849 105.7 58.5 -68.8 -31.6 17.3 1.9 10.4 200 509 A L H >X S+ 0 0 8 -4,-2.4 4,-1.0 1,-0.2 3,-0.8 0.807 97.0 62.3 -64.1 -27.3 14.6 4.0 11.9 201 510 A I H 3X S+ 0 0 0 -4,-1.1 4,-2.4 -3,-0.4 3,-0.3 0.871 92.9 65.0 -65.4 -31.2 13.8 5.4 8.5 202 511 A L H 3X S+ 0 0 2 -4,-0.9 4,-2.2 -3,-0.4 -1,-0.2 0.809 94.5 58.3 -63.1 -26.6 12.9 1.8 7.5 203 512 A S H S+ 0 0 12 -4,-2.0 4,-0.8 2,-0.2 5,-0.6 0.929 107.8 50.0 -62.4 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4,-2.1 1,-0.2 -1,-0.2 0.871 98.4 55.2 -61.7 -37.3 -4.1 4.7 27.1 291 355 B V H X S+ 0 0 64 -4,-1.1 4,-1.4 -3,-0.3 -1,-0.2 0.926 111.1 43.8 -63.1 -42.6 -4.6 6.9 30.2 292 356 B H H X S+ 0 0 73 -4,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.820 110.0 57.9 -67.6 -31.4 -1.4 5.4 31.8 293 357 B M H X S+ 0 0 8 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.897 101.6 54.0 -66.5 -41.7 0.4 5.7 28.5 294 358 B I H X S+ 0 0 4 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.921 111.3 46.1 -58.9 -41.6 -0.2 9.5 28.4 295 359 B N H X S+ 0 0 84 -4,-1.4 4,-0.6 1,-0.2 -2,-0.2 0.877 111.9 50.8 -71.5 -36.5 1.3 9.8 31.9 296 360 B W H >X S+ 0 0 5 -4,-2.4 3,-1.5 2,-0.2 4,-0.6 0.916 106.5 55.1 -58.5 -46.3 4.2 7.6 30.9 297 361 B A H >< S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.3 6,-0.2 0.919 101.3 58.0 -60.5 -42.1 4.9 9.7 27.7 298 362 B K H 3< S+ 0 0 48 -4,-1.8 6,-0.3 1,-0.3 -1,-0.3 0.727 106.5 50.5 -57.1 -22.8 5.1 12.9 29.9 299 363 B R H << S+ 0 0 144 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.501 81.3 104.6 -95.6 -6.9 8.0 11.1 31.7 300 364 B V S X< S- 0 0 1 -3,-1.7 3,-2.4 -4,-0.6 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112.1 53.0 -73.3 -39.4 3.3 17.7 18.7 311 375 B Q H X S+ 0 0 11 -4,-2.7 4,-2.0 2,-0.2 5,-0.2 0.918 110.3 49.1 -55.4 -47.7 2.7 15.6 21.8 312 376 B V H X S+ 0 0 5 -4,-2.7 4,-2.8 -5,-0.2 5,-0.2 0.931 111.0 49.7 -56.5 -50.0 -0.7 14.8 20.4 313 377 B H H X S+ 0 0 44 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.903 110.3 48.9 -59.0 -47.9 0.6 13.9 17.0 314 378 B L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.910 115.0 44.0 -61.7 -42.0 3.3 11.5 18.3 315 379 B L H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.896 112.0 53.2 -71.5 -40.7 0.9 9.7 20.6 316 380 B E H < S+ 0 0 20 -4,-2.8 4,-0.2 -5,-0.2 -2,-0.2 0.890 114.9 42.8 -56.6 -40.0 -1.7 9.5 17.8 317 381 B C H < S+ 0 0 13 -4,-2.3 4,-0.2 -5,-0.2 -2,-0.2 0.933 125.5 30.9 -72.2 -44.5 0.9 8.0 15.5 318 382 B A H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.460 82.9 103.0 -96.0 -6.6 2.4 5.6 18.0 319 383 B W H X S+ 0 0 3 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.840 88.4 40.8 -55.0 -46.2 -0.3 4.5 20.5 320 384 B L H > S+ 0 0 22 -4,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.868 113.2 53.5 -73.3 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0.876 96.0 70.6 -89.2 -37.5 10.2 8.3 16.0 392 456 B S T 3< S+ 0 0 1 -4,-2.2 3,-0.3 -5,-0.3 -3,-0.1 0.842 113.9 25.3 -60.8 -40.5 6.9 7.0 14.6 393 457 B G T >4 S+ 0 0 0 -4,-0.5 3,-0.8 -5,-0.3 -1,-0.3 0.303 94.9 100.5-100.7 7.8 5.3 10.4 13.9 394 458 B V G X4 S+ 0 0 0 -3,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.805 82.3 46.4 -69.6 -32.2 8.6 12.4 13.6 395 459 B Y G 3< S+ 0 0 10 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.1 0.436 106.1 61.1 -93.5 -1.7 8.7 12.6 9.7 396 460 B T G < 0 0 68 -3,-0.8 -1,-0.2 -275,-0.1 -2,-0.2 0.291 360.0 360.0 -94.4 4.3 5.0 13.6 9.6 397 461 B F < 0 0 64 -3,-0.7 -3,-0.1 -4,-0.1 -87,-0.0 -0.425 360.0 360.0 -56.5 360.0 5.9 16.7 11.7 398 ! 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 0.0 399 465 B T 0 0 136 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -63.3 7.8 27.6 10.3 400 466 B L > + 0 0 61 2,-0.1 4,-0.7 3,-0.0 0, 0.0 0.356 360.0 69.4-153.8 -12.0 11.3 26.9 11.7 401 467 B K H > S+ 0 0 80 2,-0.2 4,-1.0 1,-0.1 5,-0.0 0.478 98.3 65.8 -72.4 -12.7 10.8 26.6 15.4 402 468 B S H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.1 3,-0.4 0.931 99.1 44.3 -65.1 -52.6 9.1 23.6 13.7 403 469 B L H > S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.708 108.3 59.4 -71.1 -21.0 12.5 22.2 12.6 404 470 B E H X S+ 0 0 131 -4,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.834 105.3 49.0 -69.6 -37.0 13.9 23.0 16.0 405 471 B E H X S+ 0 0 29 -4,-1.0 4,-2.3 -3,-0.4 -2,-0.2 0.942 113.2 47.5 -61.7 -50.1 11.2 20.6 17.4 406 472 B K H X S+ 0 0 41 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.887 113.6 46.8 -57.9 -45.3 12.3 18.0 14.8 407 473 B D H X S+ 0 0 92 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.872 110.0 53.8 -67.0 -37.5 16.0 18.5 15.6 408 474 B H H X S+ 0 0 33 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.917 108.1 50.0 -55.8 -50.5 15.3 18.3 19.3 409 475 B I H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.898 110.7 50.4 -57.5 -42.8 13.5 15.0 18.8 410 476 B H H X S+ 0 0 20 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.849 107.7 51.9 -69.3 -35.9 16.5 13.7 16.8 411 477 B R H X S+ 0 0 149 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.908 111.7 48.0 -61.5 -43.4 19.0 14.7 19.5 412 478 B V H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.933 109.6 51.3 -62.4 -45.9 16.9 12.8 22.1 413 479 B L H X S+ 0 0 7 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.892 107.7 54.6 -58.5 -38.3 16.7 9.8 19.8 414 480 B D H X S+ 0 0 28 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.887 106.1 51.5 -60.4 -40.2 20.6 10.0 19.5 415 481 B K H X S+ 0 0 56 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.857 107.6 52.3 -65.0 -36.8 20.9 9.9 23.3 416 482 B I H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.883 108.9 50.1 -69.8 -36.4 18.6 6.8 23.4 417 483 B T H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.952 110.2 50.0 -58.7 -49.9 20.9 5.1 20.9 418 484 B D H X S+ 0 0 34 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.905 110.3 52.2 -53.8 -42.3 23.9 6.1 23.1 419 485 B T H X S+ 0 0 3 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.894 107.6 50.2 -64.2 -42.3 22.0 4.5 26.0 420 486 B L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.928 111.3 48.5 -62.9 -43.7 21.4 1.3 24.2 421 487 B I H X S+ 0 0 19 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.925 109.5 52.1 -62.3 -48.9 25.0 0.9 23.3 422 488 B H H X S+ 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11 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.968 110.4 45.1 -62.0 -53.3 -10.8 8.4 23.1 474 540 B L H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.884 110.9 55.0 -59.5 -36.9 -10.3 5.3 21.0 475 541 B L H X S+ 0 0 63 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.897 111.0 45.1 -61.0 -42.8 -12.5 6.7 18.3 476 542 B E H X S+ 0 0 59 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.897 113.5 48.6 -69.2 -41.1 -10.2 9.8 18.1 477 543 B M H < S+ 0 0 3 -4,-2.7 4,-0.4 2,-0.2 -2,-0.2 0.897 115.0 45.9 -63.8 -41.5 -7.0 7.8 18.2 478 544 B L H >< S+ 0 0 4 -4,-2.8 3,-1.8 -5,-0.2 4,-0.5 0.939 109.1 55.3 -64.6 -43.4 -8.4 5.5 15.4 479 545 B D H >< S+ 0 0 114 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.774 93.5 68.7 -63.8 -33.2 -9.6 8.5 13.4 480 546 B A T 3< S+ 0 0 31 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.717 99.7 51.5 -52.2 -27.4 -6.1 10.1 13.5 481 547 B H T < S- 0 0 13 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.588 96.3-153.8 -91.9 -14.4 -5.1 7.2 11.2 482 548 B R < + 0 0 163 -3,-1.1 -3,-0.1 -4,-0.5 -2,-0.1 0.865 24.5 176.7 46.6 63.1 -8.0 7.9 8.9 483 549 B L 0 0 17 -5,-0.3 -1,-0.1 -27,-0.1 -26,-0.0 -0.290 360.0 360.0 -89.4 172.9 -8.6 4.4 7.4 484 550 B H 0 0 121 -2,-0.1 -27,-0.1 0, 0.0 -23,-0.0 -0.535 360.0 360.0-142.0 360.0 -11.2 3.1 4.9 485 !* 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 0.0 486 687 C H > 0 0 117 0, 0.0 4,-0.9 0, 0.0 -417,-0.0 0.000 360.0 360.0 360.0 -83.1 1.9 -17.2 -6.3 487 688 C K H > + 0 0 139 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.906 360.0 53.9 -90.7 -47.4 2.9 -18.2 -9.8 488 689 C I H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.941 112.6 48.5 -53.3 -49.7 4.2 -15.3 -12.1 489 690 C L H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.887 108.4 56.1 -57.6 -39.5 6.8 -14.4 -9.4 490 691 C H H X S+ 0 0 55 -4,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.937 109.8 44.1 -54.4 -52.9 7.8 -18.0 -9.2 491 692 C R H X S+ 0 0 130 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.860 111.3 53.6 -61.6 -40.6 8.5 -18.2 -12.9 492 693 C L H < S+ 0 0 25 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.901 107.4 51.9 -64.5 -37.9 10.3 -14.8 -12.9 493 694 C L H < S+ 0 0 8 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.916 113.2 42.8 -68.6 -41.3 12.6 -16.0 -10.1 494 695 C Q H < 0 0 139 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.810 360.0 360.0 -69.3 -28.6 13.6 -19.2 -12.0 495 696 C D < 0 0 122 -4,-1.7 0, 0.0 -5,-0.2 0, 0.0 -0.449 360.0 360.0 -91.3 360.0 14.0 -17.4 -15.3 496 !* 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 0.0 497 686 D K 0 0 161 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 65.4 -13.8 20.6 18.7 498 687 D H - 0 0 87 1,-0.0 5,-0.0 2,-0.0 2,-0.0 -0.712 360.0-123.5 -85.3 118.8 -11.2 19.9 21.4 499 688 D K > - 0 0 85 -2,-0.5 4,-1.6 1,-0.1 5,-0.1 -0.346 9.1-134.0 -63.3 140.5 -9.5 16.5 21.2 500 689 D I H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.888 107.4 54.7 -59.0 -41.7 -9.7 14.3 24.3 501 690 D L H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 103.0 56.1 -61.9 -40.3 -6.0 13.5 24.1 502 691 D H H 4 S+ 0 0 53 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.894 111.3 43.9 -59.3 -41.4 -5.2 17.2 24.1 503 692 D R H >X S+ 0 0 167 -4,-1.6 3,-1.5 1,-0.2 4,-1.4 0.919 111.9 52.0 -70.4 -41.5 -7.0 17.7 27.4 504 693 D L H 3< S+ 0 0 43 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.836 99.5 63.9 -65.4 -31.8 -5.6 14.5 29.0 505 694 D L T 3< S+ 0 0 7 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.719 107.9 44.6 -64.7 -17.1 -2.1 15.7 28.1 506 695 D Q T <4 0 0 106 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.2 0.821 360.0 360.0 -94.2 -34.1 -2.8 18.6 30.5 507 696 D D < 0 0 123 -4,-1.4 -2,-0.1 0, 0.0 -3,-0.1 0.981 360.0 360.0 -56.3 360.0 -4.4 16.9 33.5