==== 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 14-JUN-07 2QA6 . COMPND 2 MOLECULE: ESTROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.W.NETTLES,J.B.BRUNING,J.NOWAK,S.K.SHARMA,J.B.HAHM,Y.SHI,K. . 505 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21182.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 384 76.0 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 . 11 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 58.2 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 2 0 2 0 1 0 0 1 1 0 2 0 0 0 0 0 1 2 1 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 87 0, 0.0 3,-2.3 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 -78.2 0.2 -19.9 2.0 2 306 A L H 3> + 0 0 67 1,-0.3 4,-1.0 2,-0.2 0, 0.0 0.626 360.0 73.5 -52.2 -21.3 2.5 -17.4 0.3 3 307 A A H 34 S+ 0 0 11 1,-0.2 -1,-0.3 2,-0.2 3,-0.3 0.883 99.2 44.9 -55.2 -43.9 0.2 -14.5 1.3 4 308 A L H <4 S+ 0 0 58 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.792 108.4 58.0 -72.3 -31.9 1.4 -14.8 4.9 5 309 A S H < S+ 0 0 92 -4,-0.7 -1,-0.2 2,-0.0 -2,-0.2 0.684 83.5 115.0 -72.7 -20.8 5.1 -15.0 3.8 6 310 A L < - 0 0 35 -4,-1.0 2,-0.1 -3,-0.3 -3,-0.0 -0.124 64.3-127.3 -51.9 142.8 4.9 -11.6 2.0 7 311 A T > - 0 0 71 1,-0.1 4,-1.9 173,-0.0 3,-0.2 -0.461 28.6-104.4 -80.5 162.6 6.9 -8.7 3.1 8 312 A A H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.896 122.4 48.6 -51.9 -45.7 5.3 -5.3 3.8 9 313 A D H > S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.785 110.6 50.9 -68.8 -29.8 6.7 -3.8 0.5 10 314 A Q H > S+ 0 0 107 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.778 108.5 51.5 -78.2 -30.2 5.4 -6.9 -1.5 11 315 A M H X S+ 0 0 2 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.961 111.8 46.1 -64.7 -56.6 1.9 -6.5 -0.0 12 316 A V H X S+ 0 0 15 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.910 116.4 47.1 -45.7 -49.2 1.8 -2.8 -1.0 13 317 A S H X S+ 0 0 68 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.901 110.5 51.1 -65.3 -43.5 3.1 -3.8 -4.4 14 318 A A H < S+ 0 0 27 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.944 116.3 41.9 -56.1 -52.2 0.7 -6.7 -4.8 15 319 A L H >X S+ 0 0 1 -4,-2.8 4,-1.5 1,-0.2 3,-1.0 0.889 108.7 58.4 -61.9 -44.4 -2.2 -4.4 -4.0 16 320 A L H 3< S+ 0 0 73 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.840 113.2 37.7 -65.4 -36.3 -1.0 -1.3 -6.0 17 321 A D T 3< S+ 0 0 130 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.384 106.6 64.2 -98.0 5.3 -1.0 -3.2 -9.3 18 322 A A T <4 S+ 0 0 1 -3,-1.0 -2,-0.2 -4,-0.4 -1,-0.2 0.750 78.9 122.6 -83.5 -26.8 -4.1 -5.2 -8.6 19 323 A E < - 0 0 56 -4,-1.5 -3,-0.0 1,-0.1 33,-0.0 0.075 65.1-124.5 -29.2 122.5 -5.9 -1.8 -8.6 20 324 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.297 28.7-100.3 -71.2 162.4 -8.7 -1.7 -11.2 21 325 A P - 0 0 74 0, 0.0 2,-0.5 0, 0.0 30,-0.1 -0.374 34.9-102.9 -73.2 161.6 -8.8 1.0 -13.8 22 326 A I - 0 0 99 -2,-0.1 2,-0.2 67,-0.0 78,-0.1 -0.775 42.0-146.5 -83.6 128.1 -10.9 4.1 -13.6 23 327 A L - 0 0 28 -2,-0.5 2,-0.3 76,-0.2 21,-0.0 -0.514 4.5-124.1 -98.0 163.5 -13.9 3.7 -15.9 24 328 A Y - 0 0 143 1,-0.2 76,-0.0 76,-0.2 -1,-0.0 -0.791 10.5-147.7-107.4 150.0 -15.8 6.2 -17.9 25 329 A S - 0 0 5 -2,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.750 39.4 -83.8 -79.0-112.9 -19.5 7.1 -17.9 26 330 A E - 0 0 79 76,-0.1 2,-0.6 0, 0.0 -1,-0.1 -0.927 45.7 -87.4-180.0 150.2 -21.3 8.2 -21.1 27 331 A Y 0 0 217 -2,-0.3 76,-0.1 1,-0.2 75,-0.0 -0.633 360.0 360.0-112.4 104.5 -21.7 11.5 -22.8 28 332 A D 0 0 99 -2,-0.6 -1,-0.2 2,-0.1 0, 0.0 0.401 360.0 360.0-118.6 360.0 -24.0 14.5 -22.7 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 30 335 A R 0 0 97 0, 0.0 -2,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -59.1 -27.8 17.0 -22.0 31 336 A P - 0 0 122 0, 0.0 2,-0.6 0, 0.0 5,-0.0 -0.377 360.0-133.0 -62.0 141.7 -30.7 17.6 -19.5 32 337 A F - 0 0 63 4,-0.1 2,-0.2 3,-0.0 3,-0.0 -0.884 21.1-173.0-102.6 115.0 -30.7 15.0 -16.7 33 338 A S > - 0 0 63 -2,-0.6 4,-1.9 1,-0.1 5,-0.2 -0.469 42.3-107.4 -83.2 169.4 -33.9 13.2 -15.7 34 339 A E H > S+ 0 0 44 2,-0.2 4,-2.8 -2,-0.2 5,-0.3 0.917 121.8 52.1 -60.0 -41.9 -33.9 10.9 -12.7 35 340 A A H > S+ 0 0 57 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.924 111.3 42.9 -61.5 -50.5 -34.1 8.0 -15.1 36 341 A S H > S+ 0 0 47 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.918 117.5 49.2 -63.8 -42.9 -31.1 9.0 -17.3 37 342 A M H X S+ 0 0 5 -4,-1.9 4,-1.8 2,-0.2 3,-0.3 0.941 113.0 42.6 -60.6 -55.2 -29.1 9.9 -14.2 38 343 A M H X S+ 0 0 7 -4,-2.8 4,-1.3 1,-0.3 -1,-0.2 0.767 112.7 57.9 -69.1 -22.5 -29.8 6.7 -12.2 39 344 A G H X S+ 0 0 24 -4,-1.5 4,-1.5 -5,-0.3 -1,-0.3 0.858 105.6 47.4 -73.7 -35.8 -29.2 4.9 -15.4 40 345 A L H X S+ 0 0 32 -4,-1.8 4,-1.4 -3,-0.3 -2,-0.2 0.834 112.7 49.7 -72.4 -33.0 -25.7 6.3 -15.9 41 346 A L H X S+ 0 0 19 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.791 114.6 42.5 -78.0 -28.2 -24.8 5.5 -12.3 42 347 A T H X S+ 0 0 11 -4,-1.3 4,-2.4 2,-0.2 190,-0.2 0.775 109.7 55.3 -91.3 -26.9 -25.9 1.9 -12.3 43 348 A N H X S+ 0 0 62 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.930 113.6 45.8 -63.6 -41.0 -24.5 1.2 -15.8 44 349 A L H X S+ 0 0 2 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.920 110.0 50.4 -64.5 -50.3 -21.3 2.4 -14.2 45 350 A A H X S+ 0 0 16 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.947 110.2 53.8 -55.9 -48.5 -21.6 0.5 -11.0 46 351 A D H X S+ 0 0 38 -4,-2.4 4,-1.4 2,-0.2 3,-0.4 0.903 109.4 44.0 -50.8 -58.5 -22.3 -2.7 -13.1 47 352 A R H X S+ 0 0 69 -4,-2.1 4,-1.2 1,-0.2 3,-0.4 0.943 113.0 54.6 -55.3 -44.5 -19.1 -2.4 -15.3 48 353 A E H X S+ 0 0 36 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.783 101.5 57.4 -60.9 -32.6 -17.1 -1.6 -12.1 49 354 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 -3,-0.4 -1,-0.2 0.908 101.1 56.9 -64.1 -41.9 -18.3 -4.8 -10.3 50 355 A V H X S+ 0 0 61 -4,-1.4 4,-1.1 -3,-0.4 -2,-0.2 0.908 111.0 43.0 -54.5 -42.1 -16.9 -6.9 -13.1 51 356 A H H X S+ 0 0 71 -4,-1.2 4,-1.5 1,-0.2 -1,-0.2 0.794 110.0 57.5 -76.8 -30.8 -13.4 -5.4 -12.6 52 357 A M H X S+ 0 0 7 -4,-1.7 4,-3.7 2,-0.2 5,-0.2 0.902 99.4 57.4 -66.1 -44.0 -13.7 -5.6 -8.9 53 358 A I H X S+ 0 0 2 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.911 111.0 45.1 -53.5 -40.9 -14.3 -9.4 -9.1 54 359 A N H X S+ 0 0 65 -4,-1.1 4,-0.7 2,-0.2 -1,-0.2 0.760 111.4 51.9 -73.2 -28.1 -11.0 -9.5 -10.9 55 360 A W H >X S+ 0 0 3 -4,-1.5 3,-1.2 2,-0.2 4,-0.7 0.940 106.3 54.0 -72.4 -47.1 -9.4 -7.2 -8.3 56 361 A A H >< S+ 0 0 0 -4,-3.7 3,-1.9 1,-0.3 6,-0.2 0.942 104.3 55.8 -49.2 -48.5 -10.6 -9.4 -5.4 57 362 A K H 3< S+ 0 0 47 -4,-1.7 6,-0.3 1,-0.3 -1,-0.3 0.781 106.6 50.5 -59.0 -25.4 -8.9 -12.4 -7.0 58 363 A R H << S+ 0 0 117 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.582 84.2 107.0 -86.8 -8.8 -5.6 -10.5 -7.1 59 364 A V S X< S- 0 0 2 -3,-1.9 3,-2.5 -4,-0.7 4,-0.3 -0.604 86.4-100.5 -82.0 116.8 -5.8 -9.6 -3.4 60 365 A P T 3 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.052 100.9 3.5 -48.8 126.8 -3.3 -11.7 -1.5 61 366 A G T >> S+ 0 0 7 -4,-0.1 3,-0.6 -3,-0.0 4,-0.5 0.216 101.1 106.9 89.1 -12.0 -4.8 -14.7 0.3 62 367 A F G X4 S+ 0 0 0 -3,-2.5 3,-0.9 1,-0.3 -5,-0.1 0.875 77.9 46.6 -71.0 -38.7 -8.2 -13.9 -1.1 63 368 A V G 34 S+ 0 0 79 -4,-0.3 -1,-0.3 -6,-0.3 -6,-0.1 0.520 95.5 76.3 -80.4 -6.5 -8.3 -16.8 -3.6 64 369 A D G <4 S+ 0 0 87 -3,-0.6 -1,-0.2 2,-0.1 -2,-0.2 0.781 83.9 85.1 -68.9 -27.0 -7.1 -19.2 -0.8 65 370 A L S << S- 0 0 6 -3,-0.9 5,-0.0 -4,-0.5 -4,-0.0 -0.345 94.2 -92.2 -71.1 151.2 -10.7 -19.0 0.5 66 371 A T > - 0 0 45 1,-0.1 4,-2.6 -2,-0.1 3,-0.5 -0.243 35.5-107.9 -62.7 154.3 -13.5 -21.3 -0.8 67 372 A L H > S+ 0 0 63 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.883 120.7 50.9 -45.0 -48.7 -15.7 -20.2 -3.7 68 373 A H H > S+ 0 0 128 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.807 110.6 47.7 -65.6 -36.9 -18.6 -19.8 -1.3 69 374 A D H > S+ 0 0 6 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.868 112.1 47.6 -77.5 -36.2 -16.6 -17.7 1.1 70 375 A Q H X S+ 0 0 11 -4,-2.6 4,-1.9 2,-0.2 5,-0.2 0.916 112.6 52.4 -65.6 -41.7 -15.2 -15.4 -1.6 71 376 A V H >X S+ 0 0 17 -4,-2.6 4,-2.8 -5,-0.3 3,-0.7 0.974 110.4 46.4 -52.1 -61.1 -18.8 -15.1 -2.9 72 377 A H H 3X S+ 0 0 32 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.796 109.9 54.9 -48.9 -41.2 -20.1 -14.1 0.6 73 378 A L H 3X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.821 111.8 41.6 -69.4 -37.5 -17.3 -11.6 1.0 74 379 A L H S+ 0 0 15 2,-0.2 4,-2.5 -4,-0.2 -1,-0.2 0.805 116.2 53.6 -74.2 -32.7 -21.0 -1.3 -2.4 80 385 A E H > S+ 0 0 1 -4,-0.3 4,-3.1 2,-0.2 5,-0.3 0.930 109.7 49.2 -58.9 -51.4 -18.5 -0.2 0.3 81 386 A I H X S+ 0 0 7 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.926 112.3 47.6 -55.9 -43.5 -15.7 -1.1 -2.1 82 387 A L H X S+ 0 0 20 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.934 114.1 49.0 -61.8 -42.5 -17.4 1.0 -4.8 83 388 A M H X S+ 0 0 12 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.869 107.6 49.9 -66.5 -45.0 -17.9 3.8 -2.3 84 389 A I H X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 -1,-0.2 0.895 111.5 51.6 -66.0 -36.7 -14.3 4.0 -0.9 85 390 A G H X S+ 0 0 11 -4,-1.7 4,-2.6 -5,-0.3 -2,-0.2 0.912 111.5 47.3 -59.7 -44.1 -13.1 4.1 -4.5 86 391 A L H X S+ 0 0 8 -4,-1.9 4,-1.3 2,-0.2 12,-0.3 0.948 114.2 45.5 -62.0 -52.8 -15.5 7.0 -5.3 87 392 A V H < S+ 0 0 0 -4,-2.8 3,-0.4 1,-0.2 4,-0.4 0.925 113.8 51.0 -56.9 -46.3 -14.5 8.9 -2.1 88 393 A W H >< S+ 0 0 70 -4,-3.0 3,-1.4 -5,-0.2 4,-0.3 0.933 110.0 48.2 -56.3 -48.8 -10.9 8.3 -2.9 89 394 A R H 3< S+ 0 0 43 -4,-2.6 3,-0.2 1,-0.3 -1,-0.2 0.724 111.3 52.6 -65.6 -21.2 -11.3 9.5 -6.6 90 395 A S T >< S+ 0 0 1 -4,-1.3 3,-1.8 -3,-0.4 6,-0.3 0.396 78.4 99.9 -95.4 1.4 -13.0 12.6 -5.4 91 396 A M T < S+ 0 0 34 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 0.926 83.1 48.3 -53.8 -51.2 -10.4 13.7 -2.8 92 397 A E T 3 S+ 0 0 83 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.438 103.5 68.5 -77.0 -0.3 -8.9 16.3 -5.0 93 398 A H S X S- 0 0 72 -3,-1.8 3,-1.7 3,-0.2 2,-0.2 -0.766 74.9-150.4-122.5 87.3 -12.3 17.8 -6.0 94 399 A P T 3 S+ 0 0 89 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.365 80.2 9.5 -59.8 118.4 -14.0 19.6 -3.1 95 400 A G T 3 S+ 0 0 38 1,-0.3 12,-1.2 -2,-0.2 2,-0.4 0.391 111.3 86.1 103.6 1.0 -17.8 19.5 -3.4 96 401 A K E < -A 106 0A 78 -3,-1.7 2,-0.6 -6,-0.3 10,-0.3 -0.954 66.5-135.0-135.0 150.4 -18.1 17.1 -6.3 97 402 A L E -A 105 0A 0 8,-4.4 8,-2.4 -2,-0.4 2,-1.6 -0.930 14.5-151.7-108.7 113.5 -18.3 13.4 -6.6 98 403 A L E +A 104 0A 22 -2,-0.6 6,-0.2 -12,-0.3 -9,-0.1 -0.638 29.1 161.0 -88.4 83.8 -16.1 12.0 -9.5 99 404 A F E S- 0 0 22 4,-1.6 -76,-0.2 -2,-1.6 -1,-0.2 0.904 77.2 -5.8 -65.0 -43.7 -18.0 8.9 -10.4 100 405 A A E > S-A 103 0A 0 3,-2.0 3,-1.3 -3,-0.3 -1,-0.3 -0.955 79.8-103.5-147.0 155.3 -16.2 8.9 -13.7 101 406 A P T 3 S+ 0 0 58 0, 0.0 3,-0.2 0, 0.0 -77,-0.1 0.853 129.2 37.3 -52.8 -34.3 -13.8 11.4 -15.3 102 407 A N T 3 S+ 0 0 67 1,-0.2 2,-0.5 -4,-0.0 -76,-0.1 0.433 113.1 63.7 -94.1 -2.4 -16.7 12.5 -17.5 103 408 A L E < +A 100 0A 6 -3,-1.3 -3,-2.0 -76,-0.1 -4,-1.6 -0.768 59.7 153.1-124.3 81.9 -19.3 12.1 -14.7 104 409 A L E -A 98 0A 54 -2,-0.5 2,-0.4 -6,-0.2 -6,-0.2 -0.963 22.5-172.7-111.5 112.8 -18.3 14.6 -12.0 105 410 A L E -A 97 0A 9 -8,-2.4 -8,-4.4 -2,-0.6 2,-0.3 -0.871 11.9-150.1-115.3 139.1 -21.4 15.6 -10.0 106 411 A D E >> -A 96 0A 49 -2,-0.4 3,-3.0 -10,-0.3 4,-0.8 -0.731 37.8 -95.0-105.7 156.4 -21.9 18.2 -7.3 107 412 A R G >4 S+ 0 0 109 -12,-1.2 3,-1.7 1,-0.3 4,-0.5 0.822 122.6 58.0 -33.7 -55.6 -24.3 18.1 -4.4 108 413 A N G >4 S+ 0 0 107 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.818 103.1 56.0 -49.2 -31.6 -27.0 20.2 -6.2 109 414 A Q G X4 S+ 0 0 61 -3,-3.0 3,-1.3 1,-0.2 -1,-0.3 0.706 94.1 66.4 -77.9 -20.4 -27.0 17.4 -8.9 110 415 A G G X< S+ 0 0 3 -3,-1.7 3,-0.6 -4,-0.8 6,-0.3 0.541 85.4 71.5 -76.7 -8.3 -27.8 14.7 -6.4 111 416 A K G < S+ 0 0 124 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.411 78.5 78.9 -84.5 -0.5 -31.2 16.3 -5.9 112 417 A C G < S+ 0 0 49 -3,-1.3 2,-0.5 1,-0.1 -1,-0.2 0.796 94.3 53.4 -67.0 -32.0 -32.0 15.0 -9.4 113 418 A V S X S- 0 0 3 -3,-0.6 3,-1.2 -4,-0.2 4,-0.4 -0.934 97.4-115.9-110.8 126.7 -32.5 11.6 -7.7 114 419 A E T 3 S+ 0 0 142 -2,-0.5 -3,-0.1 1,-0.2 -2,-0.1 -0.355 93.1 4.9 -63.7 128.6 -34.9 11.3 -4.8 115 420 A G T 3> S+ 0 0 30 -2,-0.1 4,-0.6 1,-0.1 3,-0.4 0.141 101.8 95.7 92.6 -19.1 -33.3 10.3 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-3,-0.3 -1,-0.2 0.874 110.9 46.4 -59.8 -35.1 -32.2 7.0 30.3 296 356 B H H X S+ 0 0 75 -4,-1.2 4,-3.2 -3,-0.2 -1,-0.2 0.917 108.3 56.3 -75.5 -42.7 -29.2 5.6 32.0 297 357 B M H X S+ 0 0 8 -4,-2.0 4,-3.5 2,-0.2 5,-0.2 0.905 101.6 56.4 -51.4 -47.4 -27.2 5.9 28.8 298 358 B I H X S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.3 -1,-0.2 0.948 113.5 41.3 -56.4 -47.7 -28.0 9.6 28.6 299 359 B N H X S+ 0 0 72 -4,-1.6 4,-0.7 2,-0.2 -1,-0.3 0.858 113.1 52.8 -65.6 -37.9 -26.5 10.0 32.0 300 360 B W H >< S+ 0 0 8 -4,-3.2 3,-1.6 1,-0.2 -2,-0.2 0.967 107.2 53.7 -60.7 -49.7 -23.6 7.6 31.3 301 361 B A H >< S+ 0 0 0 -4,-3.5 3,-2.5 1,-0.3 -2,-0.2 0.910 100.7 59.7 -46.8 -48.7 -22.8 9.7 28.2 302 362 B K H 3< S+ 0 0 43 -4,-1.8 6,-0.4 1,-0.3 -1,-0.3 0.716 103.3 53.0 -61.7 -20.6 -22.6 13.0 30.3 303 363 B R T << S+ 0 0 152 -3,-1.6 -1,-0.3 -4,-0.7 -2,-0.2 0.116 80.9 112.7 -96.6 16.7 -19.8 11.4 32.4 304 364 B V S X> S- 0 0 3 -3,-2.5 3,-2.9 -42,-0.1 4,-0.5 -0.823 84.7-104.8 -90.6 120.8 -17.7 10.6 29.3 305 365 B P T 34 S+ 0 0 24 0, 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10 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.931 112.0 47.8 -72.6 -49.3 -24.6 15.8 22.0 316 376 B V H X S+ 0 0 13 -4,-3.2 4,-3.0 1,-0.2 5,-0.2 0.979 113.2 50.6 -53.2 -54.8 -28.1 15.1 21.0 317 377 B H H X S+ 0 0 38 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.824 108.8 49.3 -49.5 -45.6 -26.8 14.3 17.5 318 378 B L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.896 115.2 44.3 -64.0 -42.3 -24.1 11.8 18.7 319 379 B L H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.887 109.8 55.8 -69.0 -45.7 -26.6 10.0 20.9 320 380 B E H < S+ 0 0 31 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.874 115.2 40.5 -49.1 -43.4 -29.2 10.0 18.1 321 381 B C H < S+ 0 0 26 -4,-1.8 3,-0.3 -5,-0.2 -2,-0.2 0.946 125.4 32.1 -73.1 -42.8 -26.6 8.3 15.9 322 382 B A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 3,-0.4 0.403 80.6 102.6-101.7 -6.3 -25.1 5.9 18.4 323 383 B W H X S+ 0 0 1 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.817 86.3 44.6 -60.3 -39.2 -27.8 4.7 20.9 324 384 B L H > S+ 0 0 17 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.866 113.2 50.2 -79.0 -29.1 -28.5 1.3 19.4 325 385 B E H > S+ 0 0 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-1,-0.2 0.937 115.3 48.2 -66.4 -38.7 -11.2 -4.3 18.2 446 508 B L H >X S+ 0 0 3 -4,-1.8 3,-0.6 -5,-0.3 4,-0.5 0.821 105.9 56.3 -67.7 -33.0 -11.8 -1.4 15.9 447 509 B L H >X S+ 0 0 5 -4,-2.1 4,-0.9 1,-0.2 3,-0.8 0.826 100.3 59.9 -70.8 -29.7 -12.7 -3.6 12.9 448 510 B I H 3X S+ 0 0 2 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.777 93.9 65.6 -62.5 -28.8 -15.5 -5.1 15.0 449 511 B L H S+ 0 0 2 -4,-2.0 5,-2.3 1,-0.2 6,-0.4 0.867 113.7 45.4 -39.0 -49.4 -42.2 -3.6 14.2 467 529 B K H ><5S+ 0 0 54 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.950 113.2 47.2 -64.9 -52.3 -43.4 -0.0 14.7 468 530 B C H 3<5S+ 0 0 73 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.655 111.7 53.4 -64.9 -19.1 -45.0 0.4 11.3 469 531 B K T 3<5S- 0 0 94 -4,-2.1 -1,-0.3 -3,-0.2 -2,-0.2 0.294 108.5-125.6 -96.6 7.6 -46.7 -3.0 11.8 470 532 B N T < 5 + 0 0 146 -3,-1.9 -3,-0.2 -5,-0.2 -2,-0.1 0.812 64.4 140.1 55.6 33.8 -48.2 -1.9 15.2 471 533 B V < + 0 0 31 -5,-2.3 -4,-0.1 1,-0.2 -187,-0.1 0.856 69.2 8.4 -74.5 -36.1 -46.6 -4.9 16.9 472 534 B V S S- 0 0 13 -6,-0.4 2,-0.2 -189,-0.1 -1,-0.2 -0.999 77.2-113.5-148.5 138.7 -45.6 -3.0 20.1 473 535 B P - 0 0 121 0, 0.0 2,-0.4 0, 0.0 -186,-0.1 -0.615 35.1-145.4 -78.2 143.5 -46.2 0.4 21.5 474 536 B L - 0 0 23 -2,-0.2 2,-0.1 -7,-0.1 -186,-0.1 -0.895 14.5-113.8-112.1 135.3 -43.0 2.5 21.6 475 537 B S > - 0 0 38 -2,-0.4 4,-3.2 -188,-0.2 5,-0.3 -0.408 31.6-114.7 -62.7 144.8 -42.0 5.1 24.2 476 538 B D H > S+ 0 0 110 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.810 119.2 55.7 -53.2 -34.2 -41.8 8.6 22.9 477 539 B L H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.976 110.4 42.3 -62.7 -52.9 -38.1 8.5 23.6 478 540 B L H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.879 114.1 54.2 -60.7 -42.2 -37.6 5.3 21.5 479 541 B L H X S+ 0 0 48 -4,-3.2 4,-2.9 2,-0.2 -1,-0.2 0.895 109.6 45.9 -51.6 -48.8 -39.9 6.8 18.9 480 542 B E H X S+ 0 0 50 -4,-2.6 4,-1.2 -5,-0.3 -2,-0.2 0.923 112.0 51.1 -64.3 -43.3 -37.8 10.0 18.8 481 543 B M H >X S+ 0 0 3 -4,-2.6 4,-0.6 1,-0.2 3,-0.5 0.932 113.9 46.0 -57.7 -43.9 -34.5 7.9 18.6 482 544 B L H >< S+ 0 0 1 -4,-2.7 3,-1.1 1,-0.2 5,-0.3 0.925 107.8 54.1 -68.2 -46.0 -36.1 5.9 15.7 483 545 B D H >< S+ 0 0 103 -4,-2.9 3,-1.2 1,-0.2 -1,-0.2 0.709 94.9 74.1 -61.8 -17.8 -37.4 9.0 13.9 484 546 B A H << S+ 0 0 23 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.909 94.7 50.0 -56.7 -44.0 -33.8 10.3 14.0 485 547 B H T << S- 0 0 20 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.118 93.2-145.6 -89.0 18.3 -32.7 7.8 11.3 486 548 B R < + 0 0 172 -3,-1.2 2,-0.2 1,-0.0 -3,-0.1 0.662 31.5 171.1 13.6 73.8 -35.4 8.6 8.8 487 549 B L 0 0 13 -5,-0.3 -1,-0.0 -27,-0.1 -272,-0.0 -0.548 360.0 360.0 -90.1 173.5 -35.7 5.0 7.5 488 550 B H 0 0 120 -2,-0.2 -1,-0.1 0, 0.0 -24,-0.0 -0.566 360.0 360.0-144.5 360.0 -38.7 4.2 5.1 489 !* 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 0.0 490 688 C K > 0 0 187 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -8.0 -25.1 -17.6 -9.6 491 689 C I H > + 0 0 40 2,-0.2 4,-3.1 1,-0.2 5,-0.1 0.864 360.0 46.8 -73.0 -40.4 -23.4 -14.9 -11.8 492 690 C L H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.955 111.9 52.2 -65.1 -49.3 -21.0 -13.8 -9.1 493 691 C H H >> S+ 0 0 65 1,-0.2 4,-1.1 2,-0.2 3,-0.8 0.952 112.9 44.4 -46.1 -57.2 -20.3 -17.5 -8.5 494 692 C R H >X S+ 0 0 133 -4,-2.4 4,-1.7 1,-0.3 3,-1.0 0.912 109.7 54.8 -58.6 -49.1 -19.6 -17.9 -12.2 495 693 C L H 3< S+ 0 0 27 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.740 104.0 55.8 -56.9 -28.1 -17.5 -14.7 -12.5 496 694 C L H << S+ 0 0 10 -4,-1.8 -1,-0.2 -3,-0.8 -2,-0.2 0.788 108.9 48.4 -78.4 -24.3 -15.2 -16.0 -9.7 497 695 C Q H << 0 0 115 -4,-1.1 -2,-0.2 -3,-1.0 -1,-0.2 0.888 360.0 360.0 -76.8 -46.2 -14.5 -19.2 -11.6 498 696 C D < 0 0 147 -4,-1.7 -3,-0.0 0, 0.0 -4,-0.0 0.162 360.0 360.0 -28.2 360.0 -13.6 -17.8 -15.0 499 !* 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 0.0 500 686 D K 0 0 113 0, 0.0 2,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.6 -39.6 21.3 19.1 501 687 D H - 0 0 100 4,-0.1 2,-0.3 2,-0.0 3,-0.0 -0.459 360.0-171.5 -67.1 96.0 -39.3 20.1 22.7 502 688 D K > - 0 0 95 -2,-1.2 4,-1.8 1,-0.1 5,-0.1 -0.659 26.1-133.5 -89.6 148.4 -37.5 16.7 22.1 503 689 D I H > S+ 0 0 46 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.774 106.5 54.8 -73.9 -29.9 -37.2 14.4 25.1 504 690 D L H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.986 108.8 51.1 -65.6 -51.9 -33.5 13.6 24.4 505 691 D H H 4 S+ 0 0 78 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.876 112.2 47.2 -40.3 -50.1 -33.0 17.4 24.5 506 692 D R H >< S+ 0 0 164 -4,-1.8 3,-1.4 1,-0.2 4,-0.4 0.900 110.9 47.4 -69.2 -44.2 -34.7 17.6 27.8 507 693 D L H >< S+ 0 0 37 -4,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.733 98.7 69.0 -72.2 -25.4 -33.0 14.8 29.6 508 694 D L T 3< S+ 0 0 11 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.537 101.9 50.2 -72.4 -0.8 -29.6 16.0 28.5 509 695 D Q T < 0 0 118 -3,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.584 360.0 360.0-102.7 -18.7 -30.4 18.9 30.9 510 696 D D < 0 0 130 -3,-0.7 -2,-0.2 -4,-0.4 -3,-0.1 0.872 360.0 360.0 -89.0 360.0 -31.4 16.9 34.0