==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 13-AUG-04 1X78 . COMPND 2 MOLECULE: ESTROGEN RECEPTOR BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.S.MANAS,R.J.UNWALLA,Z.B.XU,M.S.MALAMAS,C.P.MILLER, . 474 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20406.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 77.6 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 2.5 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 . 1 0.2 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 . 13 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 283 59.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 2 0 0 0 0 4 0 2 0 0 0 1 1 0 1 0 1 1 2 1 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 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 1 263 A L 0 0 150 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 116.7 -2.1 21.6 42.3 2 264 A S > - 0 0 53 1,-0.1 4,-2.2 4,-0.0 3,-0.2 -0.290 360.0-109.0 -73.6 161.3 -3.3 25.1 41.4 3 265 A P H > S+ 0 0 29 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.884 120.9 54.3 -57.7 -37.3 -1.0 27.7 39.9 4 266 A E H > S+ 0 0 91 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.875 109.4 46.1 -64.3 -39.6 -1.3 29.7 43.2 5 267 A Q H > S+ 0 0 110 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.827 112.4 51.0 -73.3 -32.3 -0.2 26.6 45.2 6 268 A L H X S+ 0 0 9 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.894 109.9 49.7 -70.9 -38.8 2.6 25.9 42.8 7 269 A V H X S+ 0 0 1 -4,-2.5 4,-2.1 -5,-0.2 3,-0.3 0.914 108.7 53.6 -64.7 -41.0 3.8 29.5 43.2 8 270 A L H X S+ 0 0 71 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.898 105.4 52.7 -61.0 -41.0 3.6 29.2 46.9 9 271 A T H X S+ 0 0 37 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.804 107.3 53.3 -66.2 -26.5 5.8 26.1 46.8 10 272 A L H >X S+ 0 0 2 -4,-1.3 4,-1.0 -3,-0.3 3,-0.6 0.925 105.5 52.5 -71.8 -43.5 8.4 28.1 44.8 11 273 A L H >< S+ 0 0 69 -4,-2.1 3,-0.8 1,-0.3 -2,-0.2 0.918 110.7 49.5 -54.9 -42.9 8.4 30.9 47.4 12 274 A E H 3< S+ 0 0 142 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.731 106.9 54.5 -69.5 -23.6 9.1 28.1 49.9 13 275 A A H << S+ 0 0 2 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.619 78.8 127.3 -84.8 -13.5 11.9 26.7 47.8 14 276 A E << - 0 0 51 -4,-1.0 -3,-0.0 -3,-0.8 33,-0.0 -0.161 63.6-121.7 -47.5 125.7 13.6 30.1 47.7 15 277 A P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.292 33.6 -95.9 -68.4 158.5 17.2 29.8 48.8 16 278 A P - 0 0 76 0, 0.0 2,-0.2 0, 0.0 30,-0.1 -0.282 45.2 -87.0 -73.7 160.5 18.4 31.7 51.9 17 279 A H - 0 0 172 1,-0.0 2,-0.4 78,-0.0 78,-0.1 -0.489 50.9-149.9 -66.3 132.6 20.2 35.1 51.7 18 280 A V - 0 0 18 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.0 -0.883 16.3-173.8-115.1 142.5 23.9 34.4 51.3 19 281 A L - 0 0 78 -2,-0.4 76,-0.0 76,-0.1 23,-0.0 -0.917 23.7-143.8-127.7 153.7 26.9 36.5 52.5 20 282 A I - 0 0 3 -2,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.452 40.5-121.5 -96.8 -0.9 30.6 36.0 51.8 21 283 A S + 0 0 99 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.953 56.5 154.8 60.1 52.6 31.7 37.1 55.3 22 284 A R - 0 0 42 3,-0.0 2,-0.2 13,-0.0 -1,-0.2 -0.946 45.6-121.9-115.0 125.8 33.9 39.9 53.9 23 285 A P - 0 0 110 0, 0.0 74,-0.0 0, 0.0 0, 0.0 -0.487 45.0 -92.3 -67.7 130.7 34.7 43.0 56.0 24 286 A S S S+ 0 0 126 -2,-0.2 74,-0.1 74,-0.0 73,-0.0 -0.125 73.1 126.9 -44.8 125.9 33.6 46.2 54.3 25 287 A A - 0 0 50 -3,-0.1 -3,-0.0 0, 0.0 -1,-0.0 -0.968 60.9 -67.4-173.0 166.2 36.4 47.6 52.2 26 288 A P - 0 0 119 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.267 52.1-117.3 -64.1 153.4 37.4 48.8 48.6 27 289 A F - 0 0 33 4,-0.0 2,-0.2 3,-0.0 80,-0.0 -0.817 29.8-179.2-101.7 132.5 37.5 46.3 45.8 28 290 A T > - 0 0 82 -2,-0.4 4,-0.9 1,-0.0 5,-0.1 -0.382 45.3 -93.1-108.2-169.4 40.7 45.4 43.9 29 291 A E H > S+ 0 0 112 2,-0.2 4,-1.9 -2,-0.2 5,-0.2 0.933 121.9 41.9 -76.1 -46.2 40.9 42.9 41.0 30 292 A A H > S+ 0 0 75 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.900 116.3 48.4 -67.8 -42.8 42.0 39.8 43.1 31 293 A S H > S+ 0 0 31 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.779 110.8 52.9 -69.7 -26.3 39.5 40.5 45.9 32 294 A M H X S+ 0 0 0 -4,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.923 112.7 40.4 -76.7 -43.7 36.7 41.0 43.4 33 295 A M H X S+ 0 0 7 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.815 114.3 54.7 -72.7 -29.9 37.1 37.8 41.5 34 296 A M H X S+ 0 0 86 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.915 111.7 44.6 -67.9 -42.2 37.7 35.9 44.7 35 297 A S H X S+ 0 0 6 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.928 112.9 49.4 -67.6 -47.1 34.4 37.3 46.1 36 298 A L H X S+ 0 0 25 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.919 115.8 42.6 -59.7 -45.6 32.4 36.6 43.0 37 299 A T H X S+ 0 0 4 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.886 115.1 49.5 -70.1 -38.5 33.6 33.0 42.7 38 300 A K H X S+ 0 0 65 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.915 113.8 47.3 -66.0 -40.5 33.3 32.3 46.5 39 301 A L H X S+ 0 0 3 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.952 111.1 50.1 -64.0 -50.0 29.8 33.8 46.3 40 302 A A H X S+ 0 0 13 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.899 108.9 53.1 -56.6 -42.4 28.8 31.7 43.3 41 303 A D H X S+ 0 0 31 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.928 110.7 45.7 -61.1 -46.4 30.1 28.5 44.9 42 304 A K H X S+ 0 0 73 -4,-1.9 4,-1.4 1,-0.2 3,-0.3 0.918 113.5 49.8 -63.4 -40.8 28.0 29.1 48.0 43 305 A E H X S+ 0 0 34 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.805 102.2 62.8 -67.7 -29.6 24.9 29.9 46.0 44 306 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.880 100.6 52.3 -62.9 -39.1 25.3 26.8 43.8 45 307 A V H X S+ 0 0 55 -4,-1.2 4,-1.4 -3,-0.3 3,-0.4 0.958 112.2 44.9 -62.2 -48.8 24.8 24.6 46.9 46 308 A H H X S+ 0 0 57 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.774 106.7 61.4 -65.0 -26.3 21.6 26.4 47.8 47 309 A M H X S+ 0 0 9 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.879 101.0 52.8 -68.5 -37.0 20.5 26.3 44.1 48 310 A I H X S+ 0 0 1 -4,-1.6 4,-2.1 -3,-0.4 -2,-0.2 0.950 111.2 45.7 -62.4 -50.1 20.6 22.5 44.2 49 311 A S H X S+ 0 0 48 -4,-1.4 4,-0.9 1,-0.2 -1,-0.2 0.900 111.3 54.9 -58.0 -43.4 18.3 22.4 47.2 50 312 A W H >< S+ 0 0 5 -4,-2.2 3,-1.0 1,-0.2 4,-0.4 0.938 107.9 47.5 -55.5 -51.2 16.1 25.0 45.6 51 313 A A H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.3 6,-0.2 0.896 106.8 56.4 -59.1 -45.1 15.6 22.9 42.4 52 314 A K H 3< S+ 0 0 35 -4,-2.1 6,-0.3 1,-0.3 -1,-0.3 0.698 101.3 59.5 -62.1 -19.9 14.8 19.7 44.4 53 315 A K T << S+ 0 0 109 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.583 80.2 101.8 -84.8 -9.8 12.0 21.7 46.1 54 316 A I S X S- 0 0 1 -3,-1.9 3,-2.2 -4,-0.4 4,-0.5 -0.653 91.7-104.4 -76.1 121.0 10.3 22.3 42.8 55 317 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.190 102.1 8.2 -48.3 124.9 7.4 19.8 42.6 56 318 A G T >> S+ 0 0 29 -4,-0.2 3,-1.7 1,-0.0 4,-0.6 0.087 94.8 109.1 91.3 -23.8 8.4 17.0 40.2 57 319 A F G X4 S+ 0 0 0 -3,-2.2 3,-1.2 1,-0.3 -5,-0.1 0.884 80.9 48.2 -54.5 -43.3 12.0 18.0 39.7 58 320 A V G 34 S+ 0 0 66 -4,-0.5 -1,-0.3 -6,-0.3 -6,-0.1 0.575 101.8 67.2 -75.1 -6.5 13.3 15.0 41.8 59 321 A E G <4 S+ 0 0 122 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.602 84.4 93.9 -85.9 -13.5 11.0 12.8 39.8 60 322 A L S << S- 0 0 8 -3,-1.2 92,-0.1 -4,-0.6 91,-0.0 -0.308 94.3 -86.1 -74.5 162.2 13.0 13.5 36.6 61 323 A S >> - 0 0 46 1,-0.1 4,-2.2 -2,-0.0 3,-0.6 -0.375 37.2-118.1 -65.3 150.8 15.8 11.1 35.6 62 324 A L H 3> S+ 0 0 68 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.829 116.0 61.1 -60.2 -31.5 19.1 12.0 37.3 63 325 A F H 3> S+ 0 0 155 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.878 107.5 43.4 -63.1 -38.8 20.5 12.6 33.8 64 326 A D H <> S+ 0 0 15 -3,-0.6 4,-3.0 2,-0.2 5,-0.3 0.921 110.2 53.6 -73.3 -45.7 17.9 15.4 33.3 65 327 A Q H X S+ 0 0 9 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.902 114.2 44.5 -54.8 -42.3 18.3 17.0 36.7 66 328 A V H X S+ 0 0 21 -4,-2.1 4,-3.0 -5,-0.2 5,-0.2 0.921 113.8 46.9 -70.3 -46.7 22.0 17.2 36.1 67 329 A R H X S+ 0 0 60 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.883 112.2 51.2 -64.3 -39.7 21.8 18.5 32.5 68 330 A L H X S+ 0 0 0 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.924 116.0 40.8 -64.4 -43.4 19.2 21.1 33.5 69 331 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 -5,-0.3 -2,-0.2 0.927 112.2 53.7 -71.8 -44.2 21.3 22.4 36.4 70 332 A E H < S+ 0 0 44 -4,-3.0 -1,-0.2 1,-0.2 4,-0.2 0.810 115.2 42.2 -61.5 -28.3 24.7 22.3 34.6 71 333 A S H < S+ 0 0 31 -4,-1.5 4,-0.2 -5,-0.2 -1,-0.2 0.812 120.8 34.5 -91.3 -27.7 23.3 24.4 31.7 72 334 A C H >X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.2 3,-0.5 0.581 81.9 102.3-103.7 -10.3 21.3 27.1 33.5 73 335 A W H 3X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.831 84.0 47.7 -44.5 -48.8 23.2 27.8 36.7 74 336 A M H 3> S+ 0 0 22 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.918 112.9 49.1 -61.7 -42.6 24.8 31.0 35.6 75 337 A E H <> S+ 0 0 6 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.922 112.3 48.5 -61.2 -43.8 21.5 32.4 34.3 76 338 A V H X S+ 0 0 9 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.883 111.0 50.4 -64.0 -38.8 19.7 31.5 37.5 77 339 A L H X S+ 0 0 17 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.935 113.5 46.0 -64.2 -43.5 22.5 33.2 39.5 78 340 A M H X S+ 0 0 15 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.816 108.7 54.4 -68.9 -32.2 22.1 36.3 37.3 79 341 A M H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.895 110.2 48.3 -68.2 -38.3 18.3 36.2 37.6 80 342 A G H X S+ 0 0 4 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.919 109.7 52.5 -65.8 -41.8 18.8 36.2 41.4 81 343 A L H X S+ 0 0 4 -4,-2.2 4,-1.6 1,-0.2 12,-0.4 0.921 108.9 50.1 -58.5 -45.0 21.3 39.1 41.1 82 344 A M H X S+ 0 0 3 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.834 108.3 51.2 -66.4 -34.1 18.8 41.2 39.1 83 345 A W H < S+ 0 0 64 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.841 112.0 47.6 -72.3 -31.4 15.9 40.7 41.5 84 346 A R H < S+ 0 0 65 -4,-1.8 3,-0.3 1,-0.2 -2,-0.2 0.804 114.8 46.4 -76.6 -27.6 18.2 41.8 44.4 85 347 A S H >< S+ 0 0 0 -4,-1.6 3,-1.9 -5,-0.2 6,-0.3 0.544 85.4 95.0 -90.3 -9.2 19.4 44.8 42.5 86 348 A I T 3< S+ 0 0 11 -4,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.868 86.2 45.5 -51.8 -46.2 16.0 45.9 41.2 87 349 A D T 3 S+ 0 0 134 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 -0.012 107.5 64.3 -89.4 30.6 15.4 48.4 44.1 88 350 A H S X S- 0 0 76 -3,-1.9 3,-2.3 3,-0.2 -1,-0.2 -0.377 77.2-153.7-149.8 64.5 18.9 49.9 43.7 89 351 A P T 3 S+ 0 0 88 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.048 80.0 18.7 -43.2 133.4 19.4 51.6 40.4 90 352 A G T 3 S+ 0 0 41 1,-0.2 12,-0.6 29,-0.2 2,-0.3 0.265 108.7 92.5 88.9 -11.9 23.0 51.6 39.2 91 353 A K E < -A 101 0A 89 -3,-2.3 2,-0.7 -6,-0.3 -1,-0.2 -0.866 63.4-142.9-120.5 151.2 24.2 48.9 41.6 92 354 A L E -A 100 0A 1 8,-2.4 8,-2.1 -2,-0.3 2,-1.6 -0.929 14.8-157.3-110.5 108.9 24.6 45.1 41.3 93 355 A I E +A 99 0A 21 -2,-0.7 6,-0.2 -12,-0.4 -9,-0.1 -0.586 27.4 159.8 -87.0 78.0 23.7 43.5 44.7 94 356 A F E S- 0 0 29 -2,-1.6 -1,-0.2 4,-1.2 5,-0.2 0.915 75.5 -21.4 -63.5 -39.9 25.6 40.2 44.4 95 357 A A E > S-A 98 0A 1 3,-1.1 3,-2.1 -3,-0.3 -1,-0.3 -0.970 71.1 -96.7-162.0 161.2 25.3 40.0 48.2 96 358 A P T 3 S+ 0 0 84 0, 0.0 3,-0.2 0, 0.0 -77,-0.1 0.893 130.2 37.1 -52.4 -40.7 24.8 42.3 51.2 97 359 A D T 3 S+ 0 0 34 1,-0.2 2,-0.1 -3,-0.1 -78,-0.1 0.206 115.0 60.1 -96.2 13.9 28.6 42.4 51.7 98 360 A L E < +A 95 0A 0 -3,-2.1 -4,-1.2 -74,-0.1 -3,-1.1 -0.541 62.3 153.5-140.9 70.4 29.3 42.4 47.9 99 361 A V E -A 93 0A 49 -3,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.902 23.6-166.6-103.6 120.3 27.6 45.5 46.3 100 362 A L E -A 92 0A 2 -8,-2.1 -8,-2.4 -2,-0.6 2,-0.2 -0.849 12.8-149.2-117.6 147.9 29.4 46.7 43.2 101 363 A D E > -A 91 0A 52 -2,-0.3 4,-0.8 -10,-0.2 -10,-0.1 -0.627 31.7-111.0-103.4 162.9 29.3 49.8 41.0 102 364 A R T >4 S+ 0 0 99 -12,-0.6 3,-0.9 -2,-0.2 14,-0.1 0.919 118.4 50.6 -59.7 -46.0 29.8 50.0 37.3 103 365 A D G >4 S+ 0 0 84 1,-0.3 3,-2.2 2,-0.2 -1,-0.2 0.905 104.6 56.1 -60.3 -42.5 33.1 51.9 37.8 104 366 A E G >4 S+ 0 0 73 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.737 96.0 69.0 -62.6 -18.7 34.4 49.2 40.2 105 367 A G G << S+ 0 0 0 -3,-0.9 7,-0.5 -4,-0.8 -1,-0.3 0.290 84.1 71.6 -81.9 11.3 33.7 46.9 37.3 106 368 A K G < S+ 0 0 129 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.483 76.8 77.9-100.6 -8.3 36.6 48.5 35.5 107 369 A C S < S+ 0 0 49 -3,-1.3 2,-0.4 -4,-0.2 -1,-0.2 0.536 94.9 53.7 -77.1 -6.6 39.1 46.9 37.8 108 370 A V S >> S- 0 0 3 -3,-0.2 3,-1.6 -4,-0.1 4,-0.7 -0.981 90.1-120.6-135.0 123.0 38.6 43.6 35.8 109 371 A E T 34 S+ 0 0 177 -2,-0.4 -3,-0.1 1,-0.2 -2,-0.1 -0.332 95.2 11.1 -61.4 133.5 39.0 43.3 32.1 110 372 A G T 3> S+ 0 0 36 -2,-0.1 4,-0.7 1,-0.1 -1,-0.2 0.332 105.2 91.2 82.7 -7.9 35.9 42.1 30.3 111 373 A I H <> S+ 0 0 11 -3,-1.6 4,-2.5 -6,-0.2 5,-0.2 0.803 72.0 64.2 -91.2 -28.8 33.6 42.5 33.3 112 374 A L H X S+ 0 0 45 -4,-0.7 4,-2.6 -7,-0.5 5,-0.2 0.908 99.3 60.6 -57.8 -38.7 32.4 46.0 32.7 113 375 A E H > S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.952 110.0 38.1 -50.5 -56.3 30.9 44.6 29.5 114 376 A I H X S+ 0 0 9 -4,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.807 110.3 58.6 -69.7 -29.1 28.7 42.2 31.4 115 377 A F H X S+ 0 0 4 -4,-2.5 4,-3.5 1,-0.2 5,-0.3 0.955 106.3 51.0 -65.4 -43.4 27.9 44.5 34.3 116 378 A D H X S+ 0 0 58 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.919 109.5 50.3 -57.7 -43.7 26.4 46.8 31.7 117 379 A M H X S+ 0 0 26 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.935 114.5 44.1 -60.2 -45.7 24.3 44.0 30.3 118 380 A L H X S+ 0 0 5 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.887 112.7 50.9 -65.8 -43.1 23.1 43.0 33.7 119 381 A L H X S+ 0 0 26 -4,-3.5 4,-2.7 2,-0.2 -1,-0.2 0.874 111.4 48.3 -63.7 -38.3 22.4 46.6 34.8 120 382 A A H X S+ 0 0 58 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.911 113.5 45.9 -68.8 -43.3 20.4 47.3 31.6 121 383 A T H X S+ 0 0 5 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.899 113.8 49.7 -67.7 -37.5 18.3 44.1 32.0 122 384 A T H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.945 110.6 49.7 -63.8 -48.6 17.8 44.9 35.7 123 385 A S H X S+ 0 0 36 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.893 109.3 53.9 -55.9 -40.5 16.7 48.5 34.8 124 386 A R H X S+ 0 0 50 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.911 108.5 46.9 -61.5 -44.5 14.4 46.9 32.3 125 387 A F H X>S+ 0 0 2 -4,-2.2 5,-2.1 1,-0.2 4,-0.6 0.882 111.2 53.0 -65.3 -38.2 12.7 44.6 34.9 126 388 A R H ><5S+ 0 0 65 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.918 105.1 53.7 -61.8 -45.9 12.4 47.7 37.2 127 389 A E H 3<5S+ 0 0 135 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.822 111.1 47.0 -58.0 -32.9 10.6 49.7 34.5 128 390 A L H 3<5S- 0 0 29 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.552 110.7-127.5 -84.6 -11.0 8.2 46.8 34.2 129 391 A K T <<5 - 0 0 151 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.930 27.0-148.5 62.4 47.8 7.8 46.6 38.0 130 392 A L < - 0 0 5 -5,-2.1 2,-0.2 1,-0.1 -1,-0.2 -0.229 9.8-138.8 -49.7 126.8 8.6 42.9 38.2 131 393 A Q >> - 0 0 115 -3,-0.1 4,-2.2 1,-0.1 3,-0.9 -0.624 17.6-114.2 -91.5 150.8 6.7 41.4 41.1 132 394 A H H 3> S+ 0 0 68 1,-0.3 4,-1.9 -2,-0.2 5,-0.1 0.868 116.2 51.8 -49.8 -46.8 8.3 38.8 43.5 133 395 A K H 3> S+ 0 0 99 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.797 108.9 50.9 -63.4 -30.9 5.9 36.1 42.4 134 396 A E H <> S+ 0 0 2 -3,-0.9 4,-2.8 2,-0.2 5,-0.2 0.911 107.1 53.7 -71.6 -43.1 6.7 36.7 38.7 135 397 A Y H X S+ 0 0 6 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.885 106.6 54.4 -56.1 -40.8 10.4 36.5 39.5 136 398 A L H X S+ 0 0 4 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.920 111.0 42.7 -61.6 -47.0 9.7 33.1 41.1 137 399 A C H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.947 114.4 50.5 -65.8 -48.4 8.1 31.7 38.0 138 400 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.908 110.7 49.2 -56.4 -45.8 10.6 33.1 35.6 139 401 A K H X S+ 0 0 9 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.904 111.8 48.9 -62.7 -40.9 13.5 31.7 37.6 140 402 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.887 110.5 51.7 -65.0 -38.2 11.9 28.3 37.7 141 403 A M H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.856 102.1 59.3 -67.1 -36.9 11.3 28.5 33.9 142 404 A I H < S+ 0 0 7 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.946 109.2 45.0 -56.9 -46.6 14.9 29.3 33.3 143 405 A L H >< S+ 0 0 0 -4,-1.5 3,-0.8 1,-0.2 -2,-0.2 0.934 118.7 41.1 -63.0 -46.7 15.9 26.0 34.9 144 406 A L H 3< S+ 0 0 1 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.645 114.0 52.3 -79.5 -13.8 13.2 24.0 33.2 145 407 A N T 3< S+ 0 0 11 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.273 80.6 90.4-104.9 10.7 13.6 25.6 29.8 146 408 A S < + 0 0 3 -3,-0.8 2,-2.1 -4,-0.3 -1,-0.2 0.139 50.6 129.0 -90.6 21.3 17.4 25.1 29.5 147 409 A S 0 0 39 -3,-0.3 -1,-0.1 1,-0.2 -79,-0.1 -0.315 360.0 360.0 -76.0 58.1 16.8 21.7 27.8 148 410 A M 0 0 63 -2,-2.1 -1,-0.2 -80,-0.1 -80,-0.0 0.997 360.0 360.0 -61.5 360.0 19.0 22.2 24.7 149 ! 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 0.0 150 421 A D > 0 0 133 0, 0.0 4,-1.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -74.4 9.3 9.3 29.7 151 422 A S H > + 0 0 9 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.807 360.0 61.7 -76.0 -30.6 11.4 11.7 31.9 152 423 A S H > S+ 0 0 81 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.922 99.9 50.6 -59.3 -49.3 10.9 14.1 29.0 153 424 A R H > S+ 0 0 190 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.920 108.9 52.7 -55.9 -46.3 7.1 14.1 29.4 154 425 A K H X S+ 0 0 92 -4,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.937 110.3 48.9 -53.6 -49.4 7.5 14.8 33.1 155 426 A L H X S+ 0 0 9 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.927 111.6 46.2 -58.0 -51.8 9.8 17.8 32.2 156 427 A A H X S+ 0 0 58 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.873 112.5 53.7 -59.8 -36.6 7.4 19.3 29.6 157 428 A H H X S+ 0 0 138 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.944 111.8 43.4 -63.2 -47.5 4.6 18.7 32.1 158 429 A L H X S+ 0 0 10 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.938 112.5 51.2 -63.3 -50.7 6.6 20.7 34.8 159 430 A L H X S+ 0 0 14 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.916 111.4 49.7 -53.8 -43.3 7.6 23.5 32.5 160 431 A N H X S+ 0 0 72 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.874 107.6 53.9 -64.9 -37.7 4.0 23.8 31.4 161 432 A A H X S+ 0 0 26 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.933 110.6 45.7 -62.0 -46.3 2.9 23.9 35.1 162 433 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.833 112.0 52.2 -66.1 -33.7 5.3 26.8 35.9 163 434 A T H X S+ 0 0 1 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.895 108.1 50.9 -68.5 -39.6 4.2 28.6 32.7 164 435 A D H X S+ 0 0 54 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.869 108.6 54.4 -63.1 -37.5 0.6 28.3 33.8 165 436 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.904 107.2 47.8 -66.1 -42.3 1.7 29.7 37.1 166 437 A L H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.902 110.3 52.2 -66.8 -39.9 3.3 32.8 35.6 167 438 A V H X S+ 0 0 3 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.914 111.0 49.7 -60.0 -41.9 0.2 33.4 33.4 168 439 A W H X S+ 0 0 44 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.943 107.1 52.2 -62.5 -50.2 -1.9 33.2 36.6 169 440 A V H X S+ 0 0 13 -4,-2.6 4,-0.8 1,-0.2 3,-0.3 0.932 111.8 48.0 -53.1 -44.6 0.3 35.7 38.5 170 441 A I H ><>S+ 0 0 2 -4,-2.3 5,-0.6 1,-0.2 3,-0.6 0.866 108.0 54.7 -64.8 -37.0 -0.1 38.1 35.7 171 442 A A H ><5S+ 0 0 37 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.806 102.4 58.2 -67.1 -30.0 -3.9 37.6 35.6 172 443 A K H 3<5S+ 0 0 122 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.741 86.5 74.7 -72.6 -24.7 -4.2 38.4 39.3 173 444 A S T <<5S- 0 0 66 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.614 102.3-132.1 -63.5 -10.3 -2.6 41.9 38.8 174 445 A G T < 5 + 0 0 65 -3,-1.0 2,-0.1 1,-0.2 -3,-0.1 0.741 54.3 143.2 66.4 26.4 -6.0 42.7 37.4 175 446 A I < - 0 0 63 -5,-0.6 -1,-0.2 1,-0.2 5,-0.1 -0.477 59.7 -75.0 -91.1 168.7 -4.8 44.4 34.2 176 447 A S > - 0 0 69 -2,-0.1 4,-0.9 1,-0.1 -1,-0.2 -0.105 39.7-115.2 -58.2 160.1 -6.5 44.1 30.8 177 448 A S H >> S+ 0 0 60 1,-0.2 4,-1.9 2,-0.2 3,-0.6 0.911 118.0 53.9 -63.5 -42.7 -6.2 40.9 28.8 178 449 A Q H 3> S+ 0 0 74 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.907 111.5 44.7 -58.3 -43.2 -4.3 42.8 26.1 179 450 A Q H 3> S+ 0 0 92 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.625 107.2 59.8 -78.3 -12.0 -1.9 44.1 28.7 180 451 A Q H X S+ 0 0 0 -4,-2.0 3,-1.1 2,-0.2 4,-0.6 0.941 114.6 46.2 -74.2 -45.6 9.0 39.4 30.6 188 459 A L H >X S+ 0 0 2 -4,-2.2 3,-0.9 1,-0.3 4,-0.5 0.841 106.3 60.4 -66.4 -30.7 9.7 36.3 28.5 189 460 A M H 3X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 3,-0.3 0.692 96.5 62.4 -69.5 -16.7 11.6 38.4 26.0 190 461 A L H <> S+ 0 0 0 -3,-1.1 4,-1.6 -4,-0.4 3,-0.4 0.754 86.8 71.3 -80.4 -20.5 14.0 39.4 28.8 191 462 A L H S+ 0 0 21 -4,-2.1 5,-2.0 1,-0.2 6,-0.5 0.882 111.7 49.7 -61.9 -38.2 39.7 33.3 34.7 209 480 A K H ><5S+ 0 0 46 -4,-2.6 3,-2.8 1,-0.2 -2,-0.2 0.956 105.5 54.3 -65.6 -51.9 39.8 29.6 35.5 210 481 A C H 3<5S+ 0 0 85 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.731 110.1 50.2 -54.3 -22.5 42.2 28.7 32.7 211 482 A K T 3<5S- 0 0 122 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.394 105.7-130.7 -96.5 1.0 44.5 31.3 34.2 212 483 A N T < 5 + 0 0 140 -3,-2.8 -3,-0.2 1,-0.1 -2,-0.1 0.812 67.3 133.2 50.9 34.2 44.2 29.9 37.7 213 484 A V < + 0 0 85 -5,-2.0 -4,-0.2 2,-0.1 -1,-0.1 0.552 57.5 62.8 -87.8 -10.4 43.4 33.5 38.9 214 485 A V S S- 0 0 20 -6,-0.5 3,-0.1 -5,-0.1 -180,-0.1 -0.964 93.5-105.2-121.4 131.6 40.5 32.3 41.0 215 486 A P - 0 0 56 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 0.078 46.4 -87.5 -47.4 159.7 40.7 29.9 44.0 216 487 A V + 0 0 108 -4,-0.1 2,-0.5 4,-0.0 -7,-0.0 -0.634 46.3 174.1 -78.3 117.4 39.6 26.3 43.6 217 488 A Y > - 0 0 47 -2,-0.6 4,-3.3 1,-0.2 5,-0.3 -0.897 17.4-157.6-125.3 96.5 35.9 25.9 44.4 218 489 A D H > S+ 0 0 87 -2,-0.5 4,-3.0 1,-0.2 5,-0.2 0.863 89.7 43.6 -39.9 -62.2 35.0 22.2 43.6 219 490 A L H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.913 119.8 45.5 -56.3 -42.4 31.2 22.6 43.1 220 491 A L H > S+ 0 0 9 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.856 112.0 50.4 -69.2 -36.1 31.9 25.8 41.0 221 492 A L H X S+ 0 0 65 -4,-3.3 4,-2.9 2,-0.2 5,-0.3 0.930 112.3 48.6 -67.3 -42.0 34.7 24.1 39.0 222 493 A E H X S+ 0 0 45 -4,-3.0 4,-3.0 -5,-0.3 5,-0.3 0.940 111.4 47.9 -62.0 -50.1 32.5 21.2 38.3 223 494 A M H X S+ 0 0 0 -4,-2.4 4,-0.9 -5,-0.2 -1,-0.2 0.814 113.9 50.0 -61.4 -30.6 29.6 23.3 37.1 224 495 A L H X S+ 0 0 4 -4,-1.6 4,-3.4 -5,-0.2 -2,-0.2 0.966 117.6 36.0 -73.6 -53.6 32.0 25.3 35.0 225 496 A N H X S+ 0 0 65 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.957 114.3 55.8 -64.1 -52.1 33.6 22.3 33.2 226 497 A A H < S+ 0 0 27 -4,-3.0 -1,-0.2 -5,-0.3 -3,-0.2 0.836 118.1 37.3 -49.2 -35.9 30.5 20.3 33.0 227 498 A H H < S+ 0 0 41 -4,-0.9 -2,-0.2 -5,-0.3 -1,-0.2 0.908 111.9 54.1 -85.0 -47.9 28.9 23.2 31.2 228 499 A V H < 0 0 64 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.955 360.0 360.0 -49.0 -53.6 31.9 24.4 29.1 229 500 A L < 0 0 188 -4,-2.8 -1,-0.2 -5,-0.2 -4,-0.0 -0.317 360.0 360.0 -58.3 360.0 32.2 20.8 27.8 230 !* 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 0.0 231 263 B L 0 0 141 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 107.7 -0.7 51.0 12.1 232 264 B S > - 0 0 51 1,-0.1 4,-1.9 4,-0.0 5,-0.1 -0.220 360.0-108.8 -68.1 163.4 -2.9 48.1 13.1 233 265 B P H > S+ 0 0 30 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.909 118.7 54.8 -59.5 -42.3 -1.3 44.7 13.9 234 266 B E H > S+ 0 0 96 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.911 107.2 48.9 -58.6 -45.2 -2.7 43.2 10.7 235 267 B Q H > S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 111.8 50.5 -62.8 -37.7 -1.1 45.9 8.6 236 268 B L H X S+ 0 0 7 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.918 113.1 45.4 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360.0 360.0-138.1 164.3 21.0 13.7 49.6 469 613 C T 0 0 197 -2,-0.3 -3,-0.0 -3,-0.0 -2,-0.0 -0.821 360.0 360.0-131.9 360.0 19.4 16.4 51.9 470 !* 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 0.0 471 605 D K > 0 0 81 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -49.6 30.1 47.4 4.3 472 606 D L H > + 0 0 3 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.902 360.0 47.8 -71.8 -41.1 27.3 46.5 6.8 473 607 D V H > S+ 0 0 61 1,-0.2 4,-2.5 2,-0.2 5,-0.4 0.833 107.8 56.3 -65.7 -33.3 26.9 50.3 7.0 474 608 D Q H >>S+ 0 0 109 2,-0.2 4,-3.9 1,-0.2 5,-0.8 0.936 107.5 46.1 -65.9 -46.9 27.0 50.5 3.2 475 609 D L H <5S+ 0 0 18 -4,-1.9 4,-0.3 3,-0.2 -1,-0.2 0.821 115.0 49.5 -65.2 -31.1 24.0 48.1 2.8 476 610 D L H <5S+ 0 0 4 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.903 130.0 16.5 -74.3 -40.9 22.1 50.0 5.4 477 611 D T H <5S+ 0 0 83 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.700 129.6 42.4-106.6 -25.0 22.7 53.5 4.0 478 612 D T T <5 0 0 111 -4,-3.9 -3,-0.2 -5,-0.4 -4,-0.1 0.627 360.0 360.0-100.8 -14.9 23.9 53.1 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