==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 29-MAR-06 2GIU . COMPND 2 MOLECULE: ESTROGEN RECEPTOR BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.M.D.FITZGERALD,N.SHARMA . 225 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12091.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 78.7 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 . 6 2.7 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 59.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 1 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 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 . 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 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 1 260 A L > 0 0 170 0, 0.0 3,-1.7 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -93.1 52.6 -9.5 105.0 2 261 A D G > + 0 0 126 1,-0.3 3,-2.3 2,-0.2 7,-0.3 0.872 360.0 57.7 -50.3 -49.1 53.9 -6.3 103.4 3 262 A A G 3 S+ 0 0 35 1,-0.3 -1,-0.3 5,-0.1 9,-0.1 0.647 104.8 52.6 -58.4 -21.6 50.4 -4.9 103.1 4 263 A L G < S+ 0 0 31 -3,-1.7 -1,-0.3 4,-0.1 -2,-0.2 0.338 84.5 116.5 -99.9 4.8 50.1 -5.3 106.9 5 264 A S S <> S- 0 0 48 -3,-2.3 4,-4.4 -4,-0.1 5,-0.3 -0.522 76.8-111.9 -76.8 138.7 53.4 -3.4 107.6 6 265 A P H > S+ 0 0 37 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.822 110.4 37.8 -40.1 -61.5 53.1 -0.2 109.6 7 266 A E H > S+ 0 0 126 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.935 125.1 40.6 -62.5 -44.0 53.9 2.5 107.0 8 267 A Q H > S+ 0 0 96 -6,-0.2 4,-2.9 2,-0.2 3,-0.3 0.926 111.5 54.7 -70.9 -44.8 52.2 0.7 104.2 9 268 A L H X S+ 0 0 4 -4,-4.4 4,-2.1 -7,-0.3 -1,-0.2 0.890 109.2 50.2 -55.3 -41.0 49.1 -0.4 106.2 10 269 A V H X S+ 0 0 7 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.3 0.801 111.6 46.5 -70.6 -31.2 48.6 3.2 107.2 11 270 A L H X S+ 0 0 108 -4,-1.2 4,-1.8 -3,-0.3 -2,-0.2 0.854 109.6 54.1 -84.9 -28.3 48.8 4.5 103.6 12 271 A T H X S+ 0 0 44 -4,-2.9 4,-0.8 1,-0.2 -2,-0.2 0.949 109.2 49.3 -61.7 -44.3 46.5 1.7 102.3 13 272 A L H >< S+ 0 0 4 -4,-2.1 3,-0.9 -5,-0.2 4,-0.3 0.906 104.7 59.7 -61.6 -40.5 43.9 2.8 104.9 14 273 A L H >< S+ 0 0 84 -4,-1.6 3,-1.5 1,-0.3 -1,-0.2 0.951 106.5 45.2 -53.5 -50.1 44.3 6.4 103.8 15 274 A E H 3< S+ 0 0 158 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.652 106.7 62.7 -69.0 -14.2 43.1 5.7 100.3 16 275 A A T << S+ 0 0 6 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.372 73.6 124.7 -90.8 3.2 40.3 3.5 101.6 17 276 A E < - 0 0 59 -3,-1.5 -3,-0.0 -4,-0.3 28,-0.0 -0.368 65.6-111.8 -67.6 135.7 38.5 6.4 103.4 18 277 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.250 34.0-108.3 -66.4 158.0 34.9 6.9 102.4 19 278 A P - 0 0 74 0, 0.0 2,-0.3 0, 0.0 25,-0.0 -0.230 41.4 -78.0 -72.9 168.4 33.8 10.0 100.5 20 279 A H - 0 0 166 73,-0.0 2,-0.6 1,-0.0 73,-0.1 -0.514 49.0-145.5 -53.2 122.1 31.8 13.0 101.6 21 280 A V - 0 0 17 -2,-0.3 2,-0.5 71,-0.2 3,-0.1 -0.887 4.8-153.5-103.5 121.4 28.1 11.9 101.7 22 281 A L - 0 0 92 -2,-0.6 71,-0.0 1,-0.2 18,-0.0 -0.789 7.1-149.9 -84.8 124.7 25.6 14.6 100.7 23 282 A I - 0 0 17 -2,-0.5 -1,-0.2 1,-0.0 17,-0.0 0.953 23.5-152.3 -60.2 -46.9 22.2 13.7 102.4 24 283 A S - 0 0 91 1,-0.2 -2,-0.0 -3,-0.1 -1,-0.0 0.962 16.3-173.6 77.6 60.3 20.4 15.4 99.5 25 284 A R 0 0 83 70,-0.1 -1,-0.2 0, 0.0 -2,-0.0 -0.728 360.0 360.0 -89.6 128.1 17.1 16.6 100.9 26 285 A P 0 0 172 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.671 360.0 360.0 -96.1 360.0 14.5 18.0 98.6 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 28 292 A A 0 0 98 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 17.4 11.3 13.2 112.5 29 293 A S > + 0 0 79 2,-0.2 4,-4.3 3,-0.2 5,-0.2 0.804 360.0 45.0 -93.5 -40.6 13.0 15.4 110.0 30 294 A M H > S+ 0 0 48 2,-0.2 4,-3.5 1,-0.2 5,-0.1 0.969 120.2 41.9 -55.7 -54.6 16.2 15.3 111.9 31 295 A M H > S+ 0 0 23 2,-0.2 4,-1.8 1,-0.2 183,-0.4 0.679 114.7 52.1 -66.7 -23.6 15.6 11.6 112.2 32 296 A M H > S+ 0 0 106 2,-0.2 4,-1.9 3,-0.1 5,-0.2 0.941 114.0 42.1 -75.9 -48.9 14.5 11.5 108.6 33 297 A S H X S+ 0 0 29 -4,-4.3 4,-2.3 1,-0.2 -2,-0.2 0.940 116.9 50.2 -54.3 -48.5 17.7 13.3 107.5 34 298 A L H X S+ 0 0 33 -4,-3.5 4,-2.2 1,-0.2 -1,-0.2 0.886 110.2 46.0 -64.5 -45.9 19.7 11.1 109.9 35 299 A T H X S+ 0 0 5 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.849 112.2 51.2 -70.5 -31.7 18.4 7.7 108.8 36 300 A K H X S+ 0 0 43 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.945 108.8 53.4 -67.6 -41.2 18.7 8.5 105.2 37 301 A L H X S+ 0 0 3 -4,-2.3 4,-3.4 -5,-0.2 5,-0.2 0.941 107.8 49.1 -54.8 -51.7 22.3 9.5 105.8 38 302 A A H X S+ 0 0 12 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.905 106.0 56.3 -58.9 -42.1 23.2 6.2 107.5 39 303 A D H X S+ 0 0 26 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.925 113.5 42.2 -52.8 -46.2 21.7 4.2 104.7 40 304 A K H >X S+ 0 0 74 -4,-1.9 4,-1.2 1,-0.2 3,-0.6 0.960 114.3 49.5 -63.4 -55.8 24.0 6.1 102.4 41 305 A E H 3X S+ 0 0 31 -4,-3.4 4,-2.1 1,-0.2 -2,-0.2 0.814 103.4 62.5 -57.1 -30.1 27.1 5.9 104.7 42 306 A L H 3X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.910 96.8 56.3 -68.8 -38.1 26.6 2.2 105.2 43 307 A V H < S+ 0 0 9 -4,-2.7 3,-1.8 1,-0.2 4,-0.4 0.956 107.2 50.3 -56.8 -52.1 35.9 0.6 103.1 49 313 A A H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.817 103.8 60.2 -55.7 -33.0 36.1 -2.7 105.0 50 314 A K H 3< S+ 0 0 106 -4,-1.3 6,-0.3 1,-0.2 -1,-0.3 0.682 100.3 56.1 -76.0 -10.7 36.8 -4.6 101.8 51 315 A K T << S+ 0 0 123 -3,-1.8 -1,-0.2 -4,-0.6 -2,-0.2 0.466 79.3 102.8 -96.4 -4.1 40.0 -2.5 101.3 52 316 A I S X S- 0 0 3 -3,-1.1 3,-2.4 -4,-0.4 4,-0.3 -0.755 89.4-105.7 -78.9 110.6 41.5 -3.4 104.7 53 317 A P T 3 S+ 0 0 24 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.095 99.4 9.7 -48.7 126.4 44.1 -6.0 103.8 54 318 A G T 3 S+ 0 0 35 -4,-0.1 4,-0.4 4,-0.0 3,-0.3 0.248 94.5 109.0 89.9 -6.9 43.0 -9.5 104.8 55 319 A F S X S+ 0 0 1 -3,-2.4 3,-1.3 1,-0.2 -5,-0.1 0.935 78.0 47.9 -70.9 -42.4 39.4 -8.7 105.6 56 320 A V T 3 S+ 0 0 72 -4,-0.3 -1,-0.2 -6,-0.3 7,-0.1 0.635 104.5 63.0 -73.1 -14.2 37.8 -10.4 102.6 57 321 A E T 3 S+ 0 0 139 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.510 86.2 91.1 -88.1 -4.5 39.9 -13.5 103.2 58 322 A L S < S- 0 0 9 -3,-1.3 2,-0.1 -4,-0.4 97,-0.1 -0.277 98.5 -76.0 -72.3 173.7 38.3 -14.0 106.6 59 323 A S >> - 0 0 39 1,-0.2 4,-2.9 2,-0.1 3,-1.1 -0.436 31.7-130.1 -68.1 147.7 35.1 -16.2 106.8 60 324 A L H 3> S+ 0 0 88 1,-0.3 4,-2.2 2,-0.2 5,-0.3 0.831 113.4 63.5 -67.6 -25.3 32.0 -14.6 105.5 61 325 A F H 3> S+ 0 0 147 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.759 110.3 38.8 -63.5 -25.1 30.5 -15.8 108.8 62 326 A D H <> S+ 0 0 3 -3,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.853 111.5 54.8 -93.4 -41.9 33.1 -13.5 110.3 63 327 A Q H X S+ 0 0 4 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.929 111.4 45.9 -53.8 -48.3 32.8 -10.6 107.9 64 328 A V H X S+ 0 0 45 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.827 110.8 52.6 -67.0 -38.3 29.1 -10.3 108.4 65 329 A R H X S+ 0 0 25 -4,-0.6 4,-1.6 -5,-0.3 -1,-0.2 0.905 111.2 47.3 -62.2 -45.2 29.3 -10.6 112.2 66 330 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.936 113.8 44.5 -67.6 -48.9 31.9 -7.7 112.4 67 331 A L H X S+ 0 0 2 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.2 0.898 112.4 54.1 -64.8 -35.8 30.0 -5.3 110.1 68 332 A E H < S+ 0 0 68 -4,-1.7 3,-0.3 -5,-0.2 -1,-0.2 0.917 113.6 39.6 -65.9 -37.2 26.7 -6.0 111.8 69 333 A S H < S+ 0 0 39 -4,-1.6 -1,-0.2 1,-0.2 4,-0.2 0.839 121.0 40.2 -84.4 -26.9 28.0 -5.3 115.3 70 334 A C H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.1 -1,-0.2 0.231 76.2 104.7-105.6 4.6 30.2 -2.2 114.6 71 335 A W H X S+ 0 0 5 -4,-0.9 4,-1.6 -3,-0.3 3,-0.3 0.956 85.4 43.9 -62.0 -50.4 28.3 -0.1 112.0 72 336 A M H > S+ 0 0 30 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.873 112.1 51.9 -63.4 -38.5 27.2 2.7 114.5 73 337 A E H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.873 111.0 49.6 -62.6 -35.7 30.5 3.0 116.3 74 338 A V H X S+ 0 0 8 -4,-1.8 4,-1.6 -3,-0.3 -2,-0.2 0.803 112.2 46.5 -72.7 -30.5 32.3 3.4 112.9 75 339 A L H X S+ 0 0 21 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.757 115.7 46.7 -79.5 -28.5 29.9 6.1 111.8 76 340 A M H X S+ 0 0 13 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.871 109.1 53.1 -78.9 -39.9 30.2 7.9 115.1 77 341 A M H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.946 111.8 47.3 -58.2 -48.2 34.1 7.6 115.1 78 342 A G H X S+ 0 0 5 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.909 110.7 52.9 -58.2 -40.2 34.0 9.2 111.6 79 343 A L H X S+ 0 0 7 -4,-1.3 4,-1.7 2,-0.2 12,-0.4 0.923 108.9 47.2 -63.5 -48.9 31.6 11.9 112.9 80 344 A M H X S+ 0 0 3 -4,-2.8 4,-1.0 2,-0.2 -1,-0.2 0.913 110.7 52.8 -59.5 -40.3 33.7 12.9 115.8 81 345 A W H >< S+ 0 0 49 -4,-2.2 3,-0.6 -5,-0.2 -2,-0.2 0.930 110.5 49.2 -63.5 -36.8 36.8 13.0 113.5 82 346 A R H 3< S+ 0 0 90 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.776 118.5 37.4 -71.5 -27.0 34.8 15.4 111.3 83 347 A S H >< S+ 0 0 1 -4,-1.7 3,-2.9 -3,-0.2 -1,-0.2 0.435 81.6 112.0-101.6 1.9 33.7 17.7 114.1 84 348 A I T << S+ 0 0 15 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.1 0.715 83.4 41.0 -55.7 -25.8 36.9 17.6 116.1 85 349 A D T 3 S+ 0 0 120 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.457 101.4 77.1-100.5 -1.0 37.7 21.2 115.3 86 350 A H X - 0 0 97 -3,-2.9 3,-2.0 3,-0.1 -1,-0.2 -0.639 67.6-160.7-115.6 85.0 34.2 22.5 115.8 87 351 A P T 3 S+ 0 0 89 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.332 79.6 21.3 -56.9 131.5 33.4 22.8 119.5 88 352 A G T 3 S+ 0 0 38 1,-0.3 12,-0.8 11,-0.1 2,-0.2 0.139 113.6 81.8 95.8 -22.2 29.6 23.0 120.0 89 353 A K E < -A 99 0A 42 -3,-2.0 2,-0.4 -6,-0.2 -1,-0.3 -0.701 61.3-146.3-113.5 170.2 28.8 21.4 116.6 90 354 A L E -A 98 0A 0 8,-1.8 8,-2.1 -2,-0.2 2,-1.0 -0.992 11.9-153.0-127.3 124.6 28.4 18.1 115.0 91 355 A I E +A 97 0A 36 -12,-0.4 6,-0.2 -2,-0.4 -9,-0.1 -0.729 24.3 165.2-103.4 83.7 29.3 17.9 111.3 92 356 A F E - 0 0 30 4,-1.2 -1,-0.2 -2,-1.0 5,-0.2 0.789 68.7 -30.2 -66.4 -36.5 27.2 15.0 110.0 93 357 A A E > S-A 96 0A 2 3,-1.1 3,-2.2 1,-0.2 -1,-0.2 -0.922 77.0 -77.2-172.9 164.5 27.7 15.8 106.3 94 358 A P T 3 S+ 0 0 60 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 0.948 130.4 30.9 -41.7 -70.8 28.4 18.9 104.1 95 359 A D T 3 S+ 0 0 156 1,-0.2 -70,-0.1 -3,-0.1 2,-0.1 0.022 114.4 70.5 -88.3 45.7 24.8 20.1 104.1 96 360 A L E < +A 93 0A 25 -3,-2.2 -4,-1.2 -2,-0.8 -3,-1.1 -0.476 53.2 149.9-157.5 81.4 24.0 18.8 107.6 97 361 A V E -A 91 0A 68 -6,-0.2 2,-0.4 -5,-0.2 -6,-0.2 -0.822 26.6-153.4-105.3 146.4 25.7 20.5 110.6 98 362 A L E -A 90 0A 16 -8,-2.1 -8,-1.8 -2,-0.3 2,-0.2 -0.991 10.6-147.9-134.3 140.5 24.0 20.7 114.0 99 363 A D E >> -A 89 0A 76 -2,-0.4 3,-1.6 -10,-0.2 4,-0.7 -0.613 31.9-118.0 -86.1 150.2 24.1 23.0 117.1 100 364 A R G >4 S+ 0 0 84 -12,-0.8 3,-0.8 1,-0.3 -11,-0.1 0.854 115.0 58.3 -63.7 -30.3 23.6 21.5 120.5 101 365 A D G 34 S+ 0 0 108 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.502 97.7 60.5 -79.3 -2.7 20.4 23.6 121.0 102 366 A E G X4 S+ 0 0 97 -3,-1.6 3,-1.0 1,-0.2 -1,-0.2 0.592 91.8 68.1 -92.3 -18.4 19.0 22.0 117.9 103 367 A G T << S+ 0 0 0 -3,-0.8 5,-0.3 -4,-0.7 -1,-0.2 0.055 79.6 85.1 -84.8 26.6 19.3 18.7 119.7 104 368 A K T 3 0 0 80 -3,-0.4 -1,-0.2 3,-0.1 -2,-0.1 0.552 360.0 360.0-102.6 -13.3 16.6 20.0 122.0 105 369 A C < 0 0 136 -3,-1.0 -2,-0.2 2,-0.1 -3,-0.1 0.666 360.0 360.0-107.5 360.0 13.7 18.9 119.8 106 ! 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 0.0 107 371 A E 0 0 156 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 164.8 14.5 14.8 121.8 108 372 A G >> + 0 0 24 -5,-0.3 4,-0.9 -4,-0.0 3,-0.7 -0.185 360.0 87.5 96.3 -38.5 16.3 12.0 123.7 109 373 A I H 3> S+ 0 0 21 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.696 71.3 70.4 -54.1 -29.9 18.8 12.9 121.0 110 374 A L H 3> S+ 0 0 35 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.935 94.2 53.9 -62.8 -38.2 20.1 15.6 123.4 111 375 A E H <> S+ 0 0 110 -3,-0.7 4,-1.4 1,-0.2 3,-0.5 0.963 113.1 41.3 -55.9 -55.3 21.6 12.9 125.7 112 376 A I H X S+ 0 0 14 -4,-0.9 4,-2.1 1,-0.2 5,-0.3 0.892 107.9 63.6 -58.6 -45.7 23.5 11.3 122.8 113 377 A F H X S+ 0 0 5 -4,-2.9 4,-1.5 1,-0.3 -1,-0.2 0.860 105.2 44.8 -48.0 -42.2 24.5 14.7 121.5 114 378 A D H X S+ 0 0 58 -4,-1.8 4,-2.1 -3,-0.5 -1,-0.3 0.833 107.2 58.0 -80.5 -27.3 26.4 15.4 124.7 115 379 A M H X S+ 0 0 37 -4,-1.4 4,-1.7 -3,-0.2 -2,-0.2 0.902 110.5 44.8 -63.6 -36.1 28.1 12.0 124.7 116 380 A L H X S+ 0 0 8 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.797 112.4 50.0 -80.5 -29.3 29.5 12.8 121.2 117 381 A L H X S+ 0 0 25 -4,-1.5 4,-2.5 -5,-0.3 -2,-0.2 0.939 112.6 47.7 -71.0 -44.6 30.6 16.3 122.0 118 382 A A H X S+ 0 0 61 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.976 113.3 44.6 -58.1 -64.2 32.4 15.2 125.2 119 383 A T H X S+ 0 0 14 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.868 113.6 52.9 -46.7 -45.6 34.3 12.3 123.7 120 384 A T H X S+ 0 0 4 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.930 106.4 52.3 -58.2 -46.3 35.2 14.5 120.7 121 385 A S H X S+ 0 0 33 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.829 106.5 55.0 -55.7 -34.4 36.6 17.1 123.0 122 386 A R H X S+ 0 0 94 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.903 107.1 48.5 -66.6 -44.3 38.7 14.4 124.6 123 387 A F H X>S+ 0 0 4 -4,-1.9 5,-1.9 2,-0.2 4,-0.9 0.866 109.5 54.1 -66.2 -37.2 40.2 13.5 121.2 124 388 A R H ><5S+ 0 0 69 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.987 108.8 47.8 -56.1 -58.3 40.9 17.2 120.6 125 389 A E H 3<5S+ 0 0 127 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.821 109.7 52.6 -53.9 -34.1 42.8 17.4 123.8 126 390 A L H 3<5S- 0 0 18 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.722 109.5-127.3 -77.8 -15.0 44.8 14.3 123.0 127 391 A K T <<5 - 0 0 154 -3,-1.7 -3,-0.2 -4,-0.9 -2,-0.1 0.956 26.4-148.7 67.2 50.9 45.7 15.8 119.7 128 392 A L < - 0 0 15 -5,-1.9 2,-0.2 1,-0.1 -1,-0.1 -0.297 9.7-144.0 -53.0 123.5 44.5 12.8 117.7 129 393 A Q > - 0 0 106 1,-0.1 4,-2.7 -3,-0.1 3,-0.2 -0.547 19.2-115.1 -88.2 157.7 46.6 12.5 114.5 130 394 A H H > S+ 0 0 129 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.939 118.4 51.0 -54.8 -49.4 45.3 11.4 111.2 131 395 A K H > S+ 0 0 71 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.854 111.9 48.8 -60.2 -32.2 47.4 8.3 111.2 132 396 A E H > S+ 0 0 4 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.884 109.5 51.3 -70.2 -46.9 46.1 7.6 114.7 133 397 A Y H X S+ 0 0 7 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.943 108.4 52.3 -55.0 -50.9 42.5 8.1 113.6 134 398 A L H X S+ 0 0 16 -4,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.892 112.4 45.0 -56.8 -41.6 42.9 5.7 110.7 135 399 A C H X S+ 0 0 1 -4,-1.4 4,-1.6 -5,-0.2 -1,-0.2 0.856 111.3 51.4 -73.8 -36.2 44.3 3.0 112.9 136 400 A V H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.926 106.8 52.8 -69.4 -40.5 41.7 3.4 115.7 137 401 A K H X S+ 0 0 7 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.851 109.8 49.8 -61.8 -32.5 38.7 3.2 113.3 138 402 A A H X S+ 0 0 1 -4,-1.0 4,-2.6 -5,-0.3 -1,-0.2 0.846 108.6 52.3 -73.5 -34.5 40.1 -0.1 111.9 139 403 A M H X S+ 0 0 13 -4,-1.6 4,-3.2 2,-0.2 -2,-0.2 0.899 104.9 56.8 -62.1 -45.8 40.5 -1.5 115.5 140 404 A I H X S+ 0 0 5 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.938 109.5 44.8 -54.8 -50.3 36.9 -0.6 116.2 141 405 A L H >< S+ 0 0 0 -4,-1.6 3,-1.5 1,-0.2 4,-0.3 0.991 118.1 42.2 -60.8 -55.0 35.7 -2.7 113.3 142 406 A L H 3< S+ 0 0 2 -4,-2.6 3,-0.4 1,-0.3 -2,-0.2 0.826 118.4 45.4 -68.0 -23.7 38.0 -5.7 114.1 143 407 A N H 3< S+ 0 0 78 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.410 82.3 104.9 -94.9 6.0 37.4 -5.6 117.8 144 408 A S S << S+ 0 0 4 -3,-1.5 2,-0.3 -4,-0.5 -1,-0.2 0.743 83.5 25.6 -64.8 -23.9 33.6 -5.2 117.5 145 409 A S - 0 0 26 -3,-0.4 -79,-0.1 -4,-0.3 -80,-0.0 -0.963 49.1-163.4-137.5 159.8 32.7 -8.7 118.5 146 410 A M S > S+ 0 0 150 -2,-0.3 3,-1.3 2,-0.1 4,-0.2 0.655 85.2 71.9-111.3 -25.8 34.2 -11.6 120.5 147 411 A Y G > S+ 0 0 185 1,-0.2 3,-2.1 2,-0.2 -85,-0.0 0.952 94.3 55.2 -50.8 -55.0 32.0 -14.4 119.2 148 412 A P G 3 S+ 0 0 3 0, 0.0 -1,-0.2 0, 0.0 10,-0.1 0.582 114.9 39.8 -62.2 -8.5 33.9 -14.4 115.8 149 413 A L G < 0 0 56 -3,-1.3 -2,-0.2 1,-0.1 -3,-0.1 0.158 360.0 360.0-125.0 22.0 37.2 -14.8 117.6 150 414 A V < 0 0 146 -3,-2.1 -3,-0.1 -4,-0.2 -1,-0.1 0.544 360.0 360.0 -58.4 360.0 36.2 -17.3 120.3 151 ! 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 0.0 152 420 A A > 0 0 124 0, 0.0 4,-1.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -21.9 39.7 -22.5 112.9 153 421 A D H > + 0 0 108 2,-0.2 4,-2.9 1,-0.1 5,-0.2 0.919 360.0 59.5 -90.4 -42.0 41.6 -20.5 110.3 154 422 A S H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.757 108.1 49.7 -56.6 -27.8 39.5 -17.3 110.1 155 423 A S H > S+ 0 0 39 2,-0.2 4,-2.7 3,-0.2 5,-0.3 0.946 109.1 48.4 -74.4 -52.7 40.1 -16.9 113.9 156 424 A R H X S+ 0 0 207 -4,-1.0 4,-1.8 1,-0.2 -2,-0.2 0.894 116.9 47.0 -48.5 -44.8 43.9 -17.3 113.5 157 425 A K H X S+ 0 0 94 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.902 107.6 53.9 -61.3 -53.2 43.5 -14.8 110.7 158 426 A L H X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 5,-0.2 0.941 111.4 45.6 -55.5 -48.4 41.3 -12.3 112.7 159 427 A A H X S+ 0 0 32 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.934 111.1 52.1 -61.2 -44.9 43.8 -12.1 115.5 160 428 A H H X S+ 0 0 118 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.901 112.3 46.9 -55.1 -40.2 46.8 -11.7 113.1 161 429 A L H X S+ 0 0 6 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.766 113.3 47.3 -77.9 -27.7 45.0 -8.9 111.4 162 430 A L H X S+ 0 0 29 -4,-1.7 4,-1.6 -5,-0.2 -2,-0.2 0.825 110.8 52.3 -80.5 -33.7 44.0 -7.2 114.7 163 431 A N H X S+ 0 0 100 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.867 106.2 54.5 -69.3 -40.5 47.6 -7.5 116.0 164 432 A A H X S+ 0 0 10 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.913 107.3 49.6 -57.3 -45.2 48.9 -5.9 112.9 165 433 A V H X S+ 0 0 3 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.920 110.9 49.2 -65.4 -39.0 46.7 -2.9 113.3 166 434 A T H X S+ 0 0 37 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.838 109.8 53.4 -64.0 -37.4 47.8 -2.5 117.0 167 435 A D H X S+ 0 0 104 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.907 108.2 49.9 -62.9 -41.8 51.4 -2.8 115.8 168 436 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.957 111.0 47.9 -67.5 -43.5 50.8 0.0 113.4 169 437 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.941 111.6 50.1 -57.7 -46.4 49.3 2.3 116.0 170 438 A V H X S+ 0 0 61 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.920 110.7 51.3 -58.5 -41.0 52.1 1.5 118.4 171 439 A W H X S+ 0 0 67 -4,-2.4 4,-0.8 2,-0.2 3,-0.3 0.923 107.7 51.4 -57.4 -50.4 54.5 2.4 115.5 172 440 A V H >< S+ 0 0 10 -4,-2.6 3,-0.9 1,-0.2 4,-0.4 0.904 111.0 48.5 -55.3 -46.1 52.8 5.7 114.9 173 441 A I H >< S+ 0 0 3 -4,-2.3 3,-0.9 1,-0.2 5,-0.5 0.793 104.6 58.2 -68.2 -31.7 53.1 6.7 118.5 174 442 A A H >< S+ 0 0 44 -4,-1.6 3,-0.6 -3,-0.3 -1,-0.2 0.657 98.2 62.4 -72.1 -18.7 56.7 5.7 118.8 175 443 A K T << S+ 0 0 112 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.566 80.3 80.9 -84.3 -15.3 57.5 8.2 116.0 176 444 A S T < S- 0 0 70 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.1 0.713 103.5-124.2 -65.6 -17.9 56.3 11.2 118.0 177 445 A G < + 0 0 69 -3,-0.6 2,-0.2 1,-0.3 -2,-0.1 0.864 61.7 143.3 75.8 35.0 59.7 11.1 119.7 178 446 A I - 0 0 61 -5,-0.5 -1,-0.3 1,-0.1 2,-0.1 -0.680 55.8 -81.5-104.0 165.8 58.2 10.8 123.2 179 447 A S >> - 0 0 61 -2,-0.2 4,-2.5 1,-0.1 3,-0.8 -0.285 37.3-113.3 -60.0 138.6 59.3 8.8 126.2 180 448 A S H 3> S+ 0 0 93 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.773 121.5 51.4 -42.7 -33.4 58.6 5.1 126.5 181 449 A Q H 3> S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.870 108.4 50.5 -76.7 -35.7 56.4 6.0 129.4 182 450 A Q H <> S+ 0 0 82 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.887 107.6 55.4 -65.5 -35.5 54.6 8.6 127.4 183 451 A Q H X S+ 0 0 55 -4,-2.5 4,-3.2 2,-0.2 3,-0.3 0.980 111.1 42.0 -58.9 -59.1 54.1 5.9 124.7 184 452 A S H X S+ 0 0 81 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.881 114.3 52.3 -56.8 -40.6 52.3 3.5 127.0 185 453 A M H X S+ 0 0 88 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.867 113.2 44.7 -68.0 -29.7 50.3 6.3 128.6 186 454 A R H X S+ 0 0 44 -4,-2.1 4,-2.5 -3,-0.3 5,-0.2 0.905 112.0 50.0 -79.6 -42.9 49.2 7.4 125.2 187 455 A L H X S+ 0 0 46 -4,-3.2 4,-2.0 -5,-0.2 5,-0.2 0.915 114.0 48.0 -58.7 -39.0 48.4 4.0 123.9 188 456 A A H X S+ 0 0 45 -4,-2.3 4,-1.5 -5,-0.3 -2,-0.2 0.891 111.3 48.7 -69.9 -40.4 46.4 3.4 127.1 189 457 A N H X S+ 0 0 54 -4,-1.8 4,-0.8 -5,-0.2 -1,-0.2 0.864 111.5 51.3 -65.1 -37.9 44.5 6.7 126.8 190 458 A L H >< S+ 0 0 1 -4,-2.5 3,-0.5 1,-0.2 4,-0.3 0.956 112.8 42.1 -66.9 -50.8 43.6 6.0 123.2 191 459 A L H >X S+ 0 0 56 -4,-2.0 3,-1.0 1,-0.2 4,-0.5 0.776 106.7 61.9 -72.6 -22.5 42.2 2.5 123.7 192 460 A M H >X S+ 0 0 112 -4,-1.5 3,-0.8 1,-0.2 4,-0.6 0.824 95.4 64.4 -67.2 -28.0 40.3 3.5 126.9 193 461 A L H S+ 0 0 21 -3,-1.0 4,-3.3 -4,-0.3 -1,-0.2 0.824 89.5 62.6 -73.2 -31.4 36.9 3.1 122.7 195 463 A S H X S+ 0 0 118 -4,-2.1 4,-1.8 -5,-0.2 3,-0.9 0.967 110.0 48.2 -57.6 -58.3 18.7 2.0 121.7 207 475 A H H 3< S+ 0 0 33 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.808 109.3 57.7 -49.2 -38.4 17.2 5.3 120.5 208 476 A L H 3< S+ 0 0 27 -4,-1.8 3,-0.3 -5,-0.2 -1,-0.3 0.760 105.5 44.8 -70.3 -35.5 16.9 3.7 117.0 209 477 A L H << S+ 0 0 123 -4,-1.4 2,-2.4 -3,-0.9 -1,-0.2 0.846 100.7 70.2 -80.6 -32.0 14.8 0.7 117.9 210 478 A N < 0 0 128 -4,-1.8 -1,-0.2 -5,-0.2 -4,-0.0 -0.279 360.0 360.0 -72.5 52.8 12.5 2.8 120.1 211 479 A M 0 0 122 -2,-2.4 -3,-0.0 -3,-0.3 -4,-0.0 -0.932 360.0 360.0-151.9 360.0 11.1 4.4 116.9 212 ! 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 0.0 213 484 A V 0 0 79 0, 0.0 -181,-0.1 0, 0.0 -182,-0.0 0.000 360.0 360.0 360.0 144.0 12.7 7.2 110.1 214 485 A V - 0 0 36 -183,-0.4 2,-3.4 -182,-0.0 3,-0.3 -0.911 360.0-109.0-115.6 141.4 14.4 4.8 107.6 215 486 A P > + 0 0 71 0, 0.0 4,-2.0 0, 0.0 5,-0.4 -0.318 55.0 157.7 -64.9 68.8 14.9 1.1 108.0 216 487 A V H > S+ 0 0 2 -2,-3.4 4,-2.5 1,-0.2 5,-0.2 0.985 72.4 41.7 -57.9 -61.1 18.7 1.5 108.5 217 488 A Y H > S+ 0 0 81 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.710 116.2 52.6 -62.4 -23.9 19.2 -1.8 110.3 218 489 A D H > S+ 0 0 99 2,-0.2 4,-2.2 3,-0.1 3,-0.3 0.986 112.0 39.8 -72.1 -67.6 16.9 -3.6 107.9 219 490 A L H X S+ 0 0 56 -4,-2.0 4,-3.6 1,-0.3 5,-0.2 0.837 113.0 57.8 -50.0 -39.3 18.4 -2.6 104.6 220 491 A L H X S+ 0 0 2 -4,-2.5 4,-2.4 -5,-0.4 -1,-0.3 0.966 105.5 49.0 -57.2 -52.5 21.9 -2.9 106.1 221 492 A L H X S+ 0 0 61 -4,-1.3 4,-1.1 -3,-0.3 -1,-0.2 0.894 112.2 50.5 -48.0 -45.6 21.1 -6.5 106.9 222 493 A E H >X S+ 0 0 100 -4,-2.2 4,-2.1 1,-0.2 3,-0.8 0.921 107.8 50.8 -58.3 -47.3 19.9 -6.7 103.3 223 494 A M H 3X S+ 0 0 41 -4,-3.6 4,-2.0 1,-0.3 -2,-0.2 0.833 105.8 58.5 -60.6 -31.3 23.2 -5.2 102.1 224 495 A L H 3< S+ 0 0 9 -4,-2.4 -1,-0.3 -5,-0.2 4,-0.3 0.791 105.9 48.7 -66.1 -32.5 24.8 -7.9 104.2 225 496 A N H XX S+ 0 0 88 -4,-1.1 4,-2.3 -3,-0.8 3,-2.1 0.951 111.2 45.7 -73.6 -56.5 23.0 -10.6 102.2 226 497 A A H 3< S+ 0 0 65 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.888 107.3 62.3 -51.8 -40.3 23.8 -9.2 98.7 227 498 A H T 3< S+ 0 0 36 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.696 111.1 38.2 -57.3 -24.5 27.4 -8.9 100.1 228 499 A V T <4 0 0 69 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.726 360.0 360.0 -98.0 -30.8 27.3 -12.6 100.6 229 500 A L < 0 0 169 -4,-2.3 -3,-0.1 -5,-0.0 -2,-0.0 0.634 360.0 360.0 -95.6 360.0 25.5 -13.5 97.4