==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE RECEPTOR 16-FEB-10 3LTX . COMPND 2 MOLECULE: ESTROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: CRASSOSTREA GIGAS; . AUTHOR E.A.ORTLUND . 903 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36269.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 689 76.3 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 . 24 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 27 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 516 57.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 5 1 1 3 3 0 0 4 0 0 4 0 0 0 0 2 3 7 0 1 0 0 0 3 0 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 4 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 . 4 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 1 248 A Q > 0 0 187 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -66.4 47.5 -12.8 17.1 2 249 A T H > + 0 0 20 1,-0.2 4,-1.3 2,-0.2 169,-0.0 0.575 360.0 63.5 -73.4 -10.9 44.9 -11.5 14.7 3 250 A V H > S+ 0 0 87 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.881 99.9 46.9 -76.8 -43.1 45.6 -14.9 13.2 4 251 A T H > S+ 0 0 86 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.854 111.8 51.6 -70.4 -34.6 44.3 -16.8 16.2 5 252 A I H X S+ 0 0 21 -4,-1.4 4,-2.6 2,-0.2 3,-0.2 0.927 110.4 50.0 -59.1 -45.7 41.3 -14.6 16.2 6 253 A L H X S+ 0 0 18 -4,-1.3 4,-1.7 1,-0.2 -2,-0.2 0.822 105.3 55.6 -65.9 -34.3 40.8 -15.4 12.6 7 254 A Q H X S+ 0 0 123 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.854 110.9 47.0 -64.9 -34.1 41.1 -19.1 13.2 8 255 A A H >< S+ 0 0 22 -4,-1.3 3,-1.0 -3,-0.2 -2,-0.2 0.973 109.6 49.2 -73.0 -56.3 38.3 -18.8 15.7 9 256 A L H 3< S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.849 108.8 58.5 -49.5 -36.1 35.9 -16.7 13.5 10 257 A N H >< S+ 0 0 70 -4,-1.7 3,-1.3 -5,-0.2 -1,-0.2 0.829 84.1 91.9 -66.0 -36.4 36.5 -19.3 10.8 11 258 A K T << S- 0 0 118 -4,-1.0 3,-0.1 -3,-1.0 42,-0.1 -0.446 107.0 -3.5 -71.1 130.3 35.3 -22.4 12.7 12 259 A A T 3 S+ 0 0 44 1,-0.2 -1,-0.3 -2,-0.2 38,-0.1 0.459 93.4 163.4 67.4 1.8 31.6 -23.2 12.2 13 260 A A < - 0 0 16 -3,-1.3 -1,-0.2 1,-0.2 -3,-0.1 -0.201 58.6 -66.0 -49.0 139.3 31.5 -20.0 10.1 14 261 A L - 0 0 24 -3,-0.1 -1,-0.2 1,-0.1 2,-0.1 0.048 66.7-158.5 -33.4 124.8 28.3 -19.9 8.0 15 262 A P - 0 0 54 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.128 30.3 -68.8 -98.9-169.1 28.5 -22.8 5.4 16 263 A V - 0 0 110 -2,-0.1 2,-0.5 80,-0.0 80,-0.1 -0.804 52.7-165.2 -89.0 111.0 27.0 -23.6 2.1 17 264 A L - 0 0 18 -2,-0.8 2,-0.4 78,-0.2 81,-0.4 -0.852 13.2-144.1-102.3 130.2 23.3 -24.4 2.7 18 265 A E - 0 0 81 -2,-0.5 78,-0.1 78,-0.2 -2,-0.0 -0.782 6.2-152.2 -86.0 132.2 21.1 -26.1 0.1 19 266 A S - 0 0 11 -2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.705 15.3-145.7 -77.6 -20.3 17.5 -24.6 0.2 20 267 A H + 0 0 133 1,-0.2 -1,-0.1 -3,-0.0 -2,-0.0 0.723 37.5 170.3 57.4 21.6 16.0 -27.9 -1.1 21 268 A H - 0 0 14 1,-0.1 2,-0.9 2,-0.0 -1,-0.2 -0.288 36.0-121.5 -63.4 147.9 13.5 -25.6 -2.8 22 269 A N > + 0 0 87 1,-0.1 3,-1.2 9,-0.1 -1,-0.1 -0.793 28.2 178.5-100.3 101.2 11.1 -27.2 -5.3 23 270 A H T 3 S+ 0 0 128 -2,-0.9 -1,-0.1 1,-0.3 -2,-0.0 0.468 72.7 81.3 -80.4 -0.4 11.5 -25.7 -8.8 24 271 A G T 3 S+ 0 0 63 2,-0.1 -1,-0.3 -3,-0.0 -2,-0.0 0.484 89.1 63.3 -79.2 -4.9 8.9 -28.1 -10.1 25 272 A Q S < S- 0 0 111 -3,-1.2 0, 0.0 1,-0.0 0, 0.0 -0.906 103.4 -84.1-121.0 151.9 6.2 -25.8 -8.7 26 273 A P - 0 0 45 0, 0.0 2,-2.6 0, 0.0 5,-0.1 -0.212 39.7-116.4 -56.4 137.1 5.5 -22.2 -9.7 27 274 A P + 0 0 33 0, 0.0 760,-0.1 0, 0.0 758,-0.1 -0.410 54.9 163.5 -72.4 68.6 7.6 -19.5 -8.1 28 275 A T > - 0 0 51 -2,-2.6 4,-1.9 756,-0.1 5,-0.2 -0.164 52.4-102.3 -75.5 178.6 4.7 -17.8 -6.3 29 276 A K H > S+ 0 0 56 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.993 121.8 42.2 -63.5 -62.3 5.1 -15.4 -3.4 30 277 A V H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.824 114.5 53.0 -53.0 -38.4 4.2 -17.9 -0.7 31 278 A H H > S+ 0 0 43 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.964 111.3 42.9 -67.9 -53.6 6.3 -20.6 -2.3 32 279 A L H X S+ 0 0 4 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.906 115.7 51.2 -56.2 -44.3 9.5 -18.6 -2.6 33 280 A L H X S+ 0 0 1 -4,-2.5 4,-3.6 1,-0.2 5,-0.3 0.859 101.9 58.1 -66.7 -39.7 9.0 -17.3 1.0 34 281 A N H X S+ 0 0 59 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.904 111.3 45.7 -54.3 -40.5 8.4 -20.7 2.5 35 282 A S H X S+ 0 0 16 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.949 115.0 44.1 -68.0 -51.6 11.9 -21.6 1.2 36 283 A L H X S+ 0 0 13 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.920 114.0 51.4 -59.6 -45.4 13.6 -18.4 2.3 37 284 A V H X S+ 0 0 2 -4,-3.6 4,-2.0 1,-0.2 -1,-0.2 0.922 111.5 46.5 -57.4 -46.4 11.9 -18.6 5.7 38 285 A K H X S+ 0 0 110 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.807 111.4 53.6 -66.9 -27.1 13.0 -22.2 6.2 39 286 A L H X S+ 0 0 3 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.846 105.4 52.6 -76.7 -33.8 16.5 -21.1 5.1 40 287 A A H X S+ 0 0 5 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.921 107.9 52.3 -63.7 -43.6 16.5 -18.3 7.7 41 288 A E H X S+ 0 0 12 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.943 112.1 44.1 -59.7 -50.2 15.7 -20.9 10.4 42 289 A R H X S+ 0 0 57 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.888 116.0 47.3 -63.1 -40.7 18.5 -23.2 9.4 43 290 A E H X S+ 0 0 11 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.915 106.1 58.5 -67.4 -42.6 21.0 -20.4 9.0 44 291 A L H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.900 102.1 54.6 -52.4 -46.6 20.0 -18.8 12.4 45 292 A V H X S+ 0 0 84 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.930 108.7 49.1 -52.6 -48.4 20.9 -22.1 14.1 46 293 A H H X S+ 0 0 56 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.906 109.9 51.4 -58.0 -44.2 24.4 -21.8 12.5 47 294 A L H X S+ 0 0 3 -4,-2.3 4,-3.3 2,-0.2 -2,-0.2 0.924 108.7 49.4 -62.2 -47.8 24.7 -18.2 13.6 48 295 A I H X S+ 0 0 45 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.917 115.8 44.9 -54.9 -45.4 23.9 -18.9 17.2 49 296 A N H < S+ 0 0 86 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.806 114.6 48.8 -69.8 -30.9 26.4 -21.7 17.1 50 297 A W H >X S+ 0 0 0 -4,-2.3 3,-2.6 -5,-0.2 4,-0.5 0.898 99.9 65.1 -75.9 -39.8 28.9 -19.5 15.4 51 298 A A H >< S+ 0 0 1 -4,-3.3 3,-1.2 1,-0.3 -1,-0.2 0.802 91.5 64.1 -51.5 -35.7 28.6 -16.6 17.8 52 299 A K T 3< S+ 0 0 96 -4,-0.9 -1,-0.3 1,-0.3 6,-0.3 0.528 98.5 57.5 -70.8 -4.1 30.0 -18.7 20.6 53 300 A N T <4 S+ 0 0 33 -3,-2.6 -1,-0.3 -42,-0.1 -2,-0.2 0.601 74.4 105.4 -99.9 -20.1 33.2 -18.8 18.7 54 301 A V S X< S- 0 0 2 -3,-1.2 3,-2.5 -4,-0.5 4,-0.3 -0.549 90.9-102.8 -63.1 112.6 33.7 -15.1 18.5 55 302 A P T 3 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.095 103.2 13.2 -46.6 122.9 36.5 -14.7 21.1 56 303 A G T > S+ 0 0 20 -4,-0.2 3,-0.7 -3,-0.0 4,-0.3 0.275 95.1 109.9 96.6 -8.4 35.2 -13.3 24.3 57 304 A Y G X S+ 0 0 2 -3,-2.5 3,-1.5 1,-0.2 -5,-0.1 0.880 74.1 51.1 -70.4 -42.4 31.6 -13.9 23.5 58 305 A T G 3 S+ 0 0 81 -4,-0.3 -1,-0.2 -6,-0.3 -6,-0.1 0.499 100.8 68.5 -75.5 -0.4 30.9 -16.7 25.9 59 306 A D G < S+ 0 0 114 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.575 83.5 89.7 -89.8 -13.7 32.4 -14.5 28.6 60 307 A L S < S- 0 0 6 -3,-1.5 -4,-0.0 -4,-0.3 94,-0.0 -0.397 96.8 -85.4 -75.5 159.8 29.4 -12.1 28.3 61 308 A S > - 0 0 43 1,-0.1 4,-2.5 -2,-0.1 3,-0.5 -0.302 40.6-113.8 -59.9 152.4 26.4 -12.6 30.5 62 309 A L H > S+ 0 0 139 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.944 117.3 52.4 -54.0 -50.4 23.9 -15.0 29.1 63 310 A S H > S+ 0 0 86 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.780 110.2 49.8 -62.5 -25.9 21.3 -12.3 28.6 64 311 A D H > S+ 0 0 7 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.918 107.4 52.2 -76.1 -44.9 23.8 -10.2 26.7 65 312 A Q H X S+ 0 0 16 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.935 115.4 43.6 -51.8 -48.0 24.8 -13.1 24.4 66 313 A V H >X S+ 0 0 73 -4,-2.6 4,-1.8 1,-0.2 3,-1.0 0.969 111.9 51.1 -63.7 -54.3 21.2 -13.6 23.6 67 314 A H H 3X S+ 0 0 42 -4,-2.3 4,-1.7 1,-0.3 -1,-0.2 0.847 104.7 58.1 -53.7 -38.6 20.4 -9.9 23.2 68 315 A L H 3X S+ 0 0 2 -4,-2.6 4,-1.4 1,-0.2 -1,-0.3 0.862 110.1 43.5 -61.5 -35.0 23.3 -9.4 20.8 69 316 A I H S+ 0 0 6 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.905 108.0 55.4 -71.0 -42.1 19.1 -10.4 10.3 75 322 A E H > S+ 0 0 7 1,-0.2 4,-1.9 -4,-0.2 -1,-0.2 0.842 110.6 47.7 -56.3 -35.3 22.2 -8.2 9.6 76 323 A L H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.896 109.2 52.5 -73.9 -40.9 24.3 -11.4 9.7 77 324 A L H X S+ 0 0 11 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.964 116.1 39.7 -55.8 -53.1 21.9 -13.3 7.4 78 325 A L H X S+ 0 0 12 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.864 111.6 57.6 -66.4 -37.9 22.0 -10.5 4.8 79 326 A L H X S+ 0 0 1 -4,-1.9 4,-1.0 -5,-0.3 -1,-0.2 0.924 111.8 42.3 -59.0 -45.4 25.8 -9.9 5.3 80 327 A N H X S+ 0 0 12 -4,-2.5 4,-2.9 2,-0.2 3,-0.3 0.913 112.2 52.8 -68.9 -43.1 26.4 -13.5 4.4 81 328 A C H X S+ 0 0 3 -4,-2.4 4,-1.0 1,-0.3 13,-0.4 0.915 108.3 51.4 -58.7 -44.0 24.0 -13.5 1.5 82 329 A A H < S+ 0 0 0 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.785 113.7 46.7 -62.1 -28.2 25.7 -10.5 0.1 83 330 A F H >< S+ 0 0 43 -4,-1.0 3,-1.4 -3,-0.3 -2,-0.2 0.901 109.1 49.7 -82.7 -41.9 29.0 -12.3 0.4 84 331 A R H 3< S+ 0 0 58 -4,-2.9 3,-0.2 1,-0.3 -2,-0.2 0.607 114.4 47.6 -75.6 -8.9 28.0 -15.7 -1.1 85 332 A S T 3<>S+ 0 0 0 -4,-1.0 5,-0.6 -5,-0.2 3,-0.4 -0.080 76.4 113.9-117.3 33.6 26.5 -13.9 -4.1 86 333 A I T X 5S+ 0 0 32 -3,-1.4 3,-1.1 1,-0.2 -1,-0.1 0.774 71.0 58.2 -72.7 -28.4 29.5 -11.6 -4.7 87 334 A E T 3 5S+ 0 0 121 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.672 92.0 68.5 -79.4 -16.9 30.4 -13.2 -8.0 88 335 A H T > 5S- 0 0 52 -3,-0.4 3,-3.0 4,-0.2 4,-0.3 0.426 99.1-141.8 -77.8 2.3 26.9 -12.3 -9.3 89 336 A G T < 5 - 0 0 3 -3,-1.1 428,-0.4 1,-0.3 429,-0.2 0.835 64.8 -50.1 36.2 51.7 28.2 -8.8 -9.1 90 337 A G T 3 -A 99 0A 1 3,-0.6 3,-1.8 -3,-0.2 -1,-0.3 -0.944 67.7-112.9-162.0 152.8 21.5 -21.0 -1.7 97 344 A P T 3 S+ 0 0 95 0, 0.0 3,-0.3 0, 0.0 -79,-0.1 0.683 127.2 54.5 -56.2 -12.1 23.2 -22.7 -4.7 98 345 A D T 3 S+ 0 0 49 -81,-0.4 2,-0.2 1,-0.2 -80,-0.1 0.623 114.8 34.7 -94.5 -20.5 19.7 -24.2 -4.7 99 346 A L E < +A 96 0A 0 -3,-1.8 -4,-1.3 2,-0.0 -3,-0.6 -0.631 65.8 171.1-146.3 73.6 17.8 -20.9 -4.7 100 347 A V E -A 94 0A 66 -3,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.806 16.8-161.8 -92.9 122.9 19.4 -18.1 -6.7 101 348 A L E -A 93 0A 10 -8,-2.8 -8,-2.7 -2,-0.6 2,-0.1 -0.913 6.0-165.2-115.1 121.0 17.1 -15.0 -7.1 102 349 A D E >> -A 92 0A 62 -2,-0.5 4,-1.1 -10,-0.2 3,-0.5 -0.358 46.8 -84.7 -90.1 177.7 17.4 -12.2 -9.6 103 350 A R H 3> S+ 0 0 52 -12,-0.8 4,-0.7 1,-0.2 -11,-0.1 0.713 121.9 65.1 -59.8 -23.3 15.6 -8.9 -9.5 104 351 A S H >> S+ 0 0 24 1,-0.2 3,-1.3 2,-0.2 4,-0.7 0.978 104.7 41.2 -62.3 -56.8 12.5 -10.3 -11.1 105 352 A S H <> S+ 0 0 16 -3,-0.5 4,-1.4 1,-0.3 -1,-0.2 0.657 99.8 72.4 -71.1 -17.0 11.6 -12.6 -8.3 106 353 A W H 3<>S+ 0 0 0 -4,-1.1 5,-2.8 1,-0.2 -1,-0.3 0.852 99.2 52.5 -61.2 -30.0 12.5 -10.1 -5.6 107 354 A S H X<5S+ 0 0 35 -3,-1.3 3,-1.1 -4,-0.7 -2,-0.2 0.860 101.7 54.6 -74.9 -39.0 9.3 -8.4 -6.9 108 355 A T H 3<5S+ 0 0 23 -4,-0.7 -1,-0.2 1,-0.3 -2,-0.2 0.815 114.0 42.8 -68.2 -28.9 7.0 -11.4 -6.5 109 356 A V T 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -80,-0.1 -2,-0.2 0.294 111.3-126.3 -96.0 6.7 8.0 -11.8 -2.9 110 357 A E T < 5S+ 0 0 106 -3,-1.1 -3,-0.2 1,-0.1 3,-0.1 0.824 75.9 118.9 55.2 38.0 7.7 -8.0 -2.5 111 358 A M >< + 0 0 2 -5,-2.8 4,-2.2 -6,-0.2 5,-0.2 -0.154 24.5 121.4-123.2 38.7 11.2 -7.7 -1.1 112 359 A T H > S+ 0 0 43 -6,-0.2 4,-2.2 2,-0.2 5,-0.3 0.875 72.1 54.7 -70.1 -39.5 12.7 -5.4 -3.7 113 360 A E H > S+ 0 0 105 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.972 114.6 39.3 -57.0 -56.1 13.6 -2.6 -1.3 114 361 A I H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.948 118.5 45.0 -60.0 -54.0 15.7 -5.0 0.9 115 362 A F H X S+ 0 0 10 -4,-2.2 4,-3.5 1,-0.3 5,-0.2 0.819 107.2 57.4 -69.9 -31.7 17.3 -7.1 -1.7 116 363 A E H X S+ 0 0 47 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.3 0.928 109.9 47.5 -58.9 -42.3 18.3 -4.2 -3.9 117 364 A Q H X S+ 0 0 8 -4,-1.4 4,-1.9 -5,-0.3 -2,-0.2 0.929 114.7 44.5 -67.1 -44.9 20.2 -2.8 -0.9 118 365 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.926 113.7 50.5 -62.4 -45.9 21.8 -6.2 -0.2 119 366 A A H X S+ 0 0 2 -4,-3.5 4,-2.1 1,-0.2 -2,-0.2 0.868 110.3 49.9 -60.7 -39.0 22.6 -6.7 -3.9 120 367 A A H X S+ 0 0 13 -4,-2.4 4,-1.0 -5,-0.2 -1,-0.2 0.858 109.4 51.1 -68.5 -36.2 24.2 -3.2 -4.1 121 368 A V H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.892 108.4 54.3 -64.3 -38.0 26.2 -4.0 -1.0 122 369 A S H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.3 3,-0.2 0.924 104.1 51.3 -63.6 -47.7 27.3 -7.2 -2.7 123 370 A E H X S+ 0 0 11 -4,-2.1 4,-2.0 1,-0.2 -1,-0.3 0.792 107.8 57.6 -59.3 -25.1 28.6 -5.5 -5.8 124 371 A Q H X S+ 0 0 36 -4,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.897 103.1 50.2 -73.5 -40.9 30.5 -3.3 -3.4 125 372 A M H ><>S+ 0 0 3 -4,-1.7 5,-1.8 -3,-0.2 3,-0.5 0.944 110.3 51.1 -60.6 -47.7 32.3 -6.2 -1.8 126 373 A M H ><5S+ 0 0 48 -4,-2.1 3,-2.1 1,-0.2 -2,-0.2 0.938 109.2 50.6 -52.7 -50.2 33.3 -7.4 -5.3 127 374 A Q H 3<5S+ 0 0 69 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.750 110.5 48.8 -64.2 -26.4 34.7 -4.0 -6.2 128 375 A N T <<5S- 0 0 40 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.286 109.2-126.6 -93.1 8.6 36.7 -3.9 -3.0 129 376 A H T < 5 - 0 0 146 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.932 36.2-157.8 42.5 57.7 38.0 -7.4 -3.8 130 377 A L < - 0 0 17 -5,-1.8 2,-0.2 -6,-0.1 -1,-0.2 -0.439 2.8-144.4 -70.8 134.4 36.9 -8.5 -0.3 131 378 A H >> - 0 0 68 -2,-0.2 4,-1.2 -3,-0.1 3,-0.8 -0.653 20.6-116.2 -97.4 155.4 38.6 -11.6 1.1 132 379 A K H >> S+ 0 0 103 1,-0.3 4,-2.9 -2,-0.2 3,-1.0 0.925 115.3 57.0 -55.4 -50.3 36.9 -14.2 3.3 133 380 A D H 3> S+ 0 0 42 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.792 106.5 52.9 -51.9 -28.9 39.1 -13.5 6.3 134 381 A E H <> S+ 0 0 14 -3,-0.8 4,-1.3 2,-0.2 -1,-0.3 0.791 107.8 48.9 -79.1 -29.8 37.8 -9.9 6.0 135 382 A L H < S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 4,-0.3 0.972 114.4 40.1 -63.6 -58.5 27.7 -8.9 16.2 144 391 A V H 3< S+ 0 0 8 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.517 116.6 52.8 -77.1 -2.5 29.6 -6.9 18.8 145 392 A N T 3< S+ 0 0 13 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.334 78.4 103.8-105.5 4.3 28.3 -3.7 17.2 146 393 A A S < S+ 0 0 4 -3,-1.6 2,-0.5 1,-0.2 -2,-0.1 0.873 83.6 35.4 -55.4 -43.2 24.7 -4.8 17.4 147 394 A E - 0 0 26 -4,-0.3 -1,-0.2 1,-0.1 4,-0.1 -0.956 52.8-176.0-123.6 122.3 23.8 -2.6 20.4 148 395 A V + 0 0 15 -2,-0.5 2,-0.2 2,-0.1 -1,-0.1 0.627 65.1 92.0 -85.1 -16.8 25.2 0.9 21.0 149 396 A R S S- 0 0 92 1,-0.1 2,-0.1 199,-0.0 -2,-0.1 -0.514 92.6 -89.7 -81.2 150.8 23.4 1.1 24.4 150 397 A R - 0 0 126 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.340 46.1-174.5 -66.0 128.3 25.2 0.1 27.6 151 398 A L > - 0 0 33 -4,-0.1 3,-2.6 -2,-0.1 4,-0.2 -0.821 42.6-100.8-114.3 162.0 24.7 -3.6 28.5 152 399 A A T 3 S+ 0 0 93 1,-0.3 3,-0.4 -2,-0.3 -1,-0.1 0.894 125.7 51.0 -41.5 -46.7 25.9 -5.4 31.7 153 400 A S T 3> S+ 0 0 16 1,-0.2 4,-2.8 2,-0.1 3,-0.5 0.128 74.0 125.2 -86.3 23.1 28.8 -6.8 29.7 154 401 A Y H <> + 0 0 54 -3,-2.6 4,-2.7 1,-0.2 5,-0.3 0.932 68.2 54.1 -42.6 -65.5 29.8 -3.3 28.4 155 402 A N H > S+ 0 0 117 -3,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.808 115.2 38.8 -41.1 -47.1 33.4 -3.5 29.6 156 403 A Q H > S+ 0 0 49 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.895 110.4 56.9 -77.0 -41.5 34.0 -6.8 27.8 157 404 A I H X S+ 0 0 21 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.913 106.8 53.0 -54.1 -41.3 32.1 -6.0 24.6 158 405 A F H X S+ 0 0 79 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.896 105.6 52.3 -61.7 -40.6 34.3 -3.0 24.3 159 406 A N H X S+ 0 0 91 -4,-1.1 4,-1.8 -5,-0.3 -1,-0.2 0.851 109.3 51.5 -61.8 -33.0 37.4 -5.2 24.6 160 407 A M H X S+ 0 0 10 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.907 108.2 50.1 -71.1 -41.9 36.0 -7.2 21.8 161 408 A Q H X S+ 0 0 30 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.956 112.8 46.2 -59.2 -51.6 35.4 -4.2 19.6 162 409 A Q H X S+ 0 0 35 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.876 112.5 51.0 -58.6 -40.1 39.0 -3.0 20.1 163 410 A S H X S+ 0 0 51 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.890 113.3 44.3 -67.4 -39.5 40.4 -6.5 19.5 164 411 A L H X S+ 0 0 6 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.823 107.7 58.8 -73.8 -33.5 38.4 -6.9 16.3 165 412 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.897 106.7 49.0 -62.6 -39.5 39.4 -3.4 15.1 166 413 A D H X S+ 0 0 45 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.966 111.9 46.4 -60.8 -54.3 43.0 -4.4 15.4 167 414 A A H X S+ 0 0 1 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.795 111.9 53.1 -62.9 -29.1 42.6 -7.6 13.4 168 415 A I H X S+ 0 0 15 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.909 109.5 46.8 -70.9 -43.7 40.6 -5.7 10.8 169 416 A V H X S+ 0 0 37 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.857 115.4 48.4 -65.8 -35.3 43.3 -3.1 10.4 170 417 A D H X S+ 0 0 89 -4,-2.4 4,-1.9 2,-0.2 3,-0.3 0.969 111.0 46.9 -65.6 -56.8 45.9 -5.9 10.1 171 418 A T H X S+ 0 0 6 -4,-2.6 4,-2.4 1,-0.3 5,-0.3 0.865 109.6 55.2 -58.6 -38.3 44.0 -8.0 7.6 172 419 A A H X S+ 0 0 6 -4,-2.1 4,-1.9 1,-0.2 -1,-0.3 0.902 106.9 51.0 -61.0 -40.8 43.3 -4.9 5.5 173 420 A Q H < S+ 0 0 90 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.869 111.2 49.8 -62.8 -36.6 47.1 -4.3 5.4 174 421 A K H < S+ 0 0 138 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.954 122.2 27.7 -68.6 -52.4 47.7 -7.9 4.3 175 422 A Y H < S+ 0 0 62 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.574 135.0 31.5 -90.1 -11.3 45.2 -8.1 1.4 176 423 A H S >< S- 0 0 26 -4,-1.9 3,-2.1 -5,-0.3 -1,-0.2 -0.386 87.3-151.3-144.3 62.3 45.2 -4.4 0.5 177 424 A P T 3 S- 0 0 81 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 -0.045 72.8 -12.7 -48.6 121.1 48.7 -3.1 1.3 178 425 A D T 3 S+ 0 0 127 1,-0.2 2,-1.0 2,-0.1 3,-0.1 0.441 89.2 142.0 73.4 0.8 48.9 0.6 2.2 179 426 A N < - 0 0 79 -3,-2.1 4,-0.5 -7,-0.2 3,-0.5 -0.664 25.8-179.0 -78.5 104.4 45.3 1.3 1.0 180 427 A V S S+ 0 0 80 -2,-1.0 -1,-0.2 1,-0.2 3,-0.1 0.752 76.8 56.0 -77.4 -26.0 44.1 3.7 3.6 181 428 A R S > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.1 5,-0.2 0.605 89.2 79.7 -82.4 -13.5 40.6 4.0 2.0 182 429 A H H > S+ 0 0 8 -3,-0.5 4,-2.2 2,-0.2 5,-0.2 0.955 90.1 45.6 -64.3 -55.9 39.9 0.3 2.2 183 430 A V H > S+ 0 0 19 -4,-0.5 4,-2.4 2,-0.2 5,-0.2 0.936 117.3 43.5 -55.8 -51.6 38.9 -0.2 5.9 184 431 A P H > S+ 0 0 5 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.978 112.0 51.2 -60.9 -56.9 36.6 2.9 6.0 185 432 A A H X S+ 0 0 12 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.865 112.9 49.3 -46.9 -39.7 34.9 2.3 2.7 186 433 A V H >X S+ 0 0 8 -4,-2.2 3,-1.2 -5,-0.2 4,-0.6 0.928 108.8 49.7 -68.5 -45.0 34.2 -1.3 3.8 187 434 A L H >< S+ 0 0 4 -4,-2.4 3,-1.0 1,-0.3 4,-0.5 0.814 100.4 65.8 -66.2 -28.9 32.8 -0.4 7.2 188 435 A L H >X S+ 0 0 3 -4,-2.3 3,-0.9 1,-0.3 4,-0.7 0.767 90.8 64.9 -62.8 -25.3 30.5 2.1 5.6 189 436 A L H XX S+ 0 0 9 -3,-1.2 4,-2.0 -4,-0.6 3,-0.7 0.864 87.8 70.1 -61.6 -34.9 28.8 -0.9 3.9 190 437 A L H S+ 0 0 4 -3,-0.9 4,-2.2 -4,-0.5 -1,-0.3 0.925 105.8 44.4 -63.8 -46.3 25.4 1.0 7.5 192 439 A H H X S+ 0 0 5 -4,-2.0 3,-1.5 -5,-0.2 4,-0.5 0.923 106.2 52.8 -54.7 -54.7 4.7 -11.9 7.3 208 455 A K H >< S+ 0 0 51 -4,-2.4 3,-0.6 1,-0.3 -1,-0.2 0.833 110.9 48.1 -57.4 -34.6 4.3 -13.9 10.6 209 456 A S H 3< S+ 0 0 97 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.494 98.2 67.0 -89.3 -4.5 1.1 -12.1 11.5 210 457 A E H << S- 0 0 98 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.510 92.9-150.5 -89.3 -7.0 -0.4 -12.6 8.0 211 458 A G << + 0 0 61 -3,-0.6 -3,-0.1 -4,-0.5 -2,-0.1 0.523 66.4 100.2 57.9 13.5 -0.4 -16.3 9.0 212 459 A V S S+ 0 0 97 -5,-0.5 2,-0.2 1,-0.1 -1,-0.2 0.910 75.3 52.9 -88.8 -62.8 -0.1 -17.7 5.5 213 460 A V S S- 0 0 6 -6,-0.3 2,-0.4 1,-0.1 -2,-0.1 -0.520 90.8-128.3 -70.6 141.3 3.6 -18.6 5.5 214 461 A T - 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0 0 47 -3,-0.4 -3,-0.1 1,-0.1 -4,-0.0 -0.232 56.1-110.3 -51.7 119.5 29.3 25.3 9.2 241 261 B L - 0 0 34 1,-0.1 2,-0.4 33,-0.0 -1,-0.1 -0.273 23.6-127.3 -58.1 125.9 25.7 25.2 10.3 242 262 B P - 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.638 31.4-115.7 -72.0 128.0 24.6 28.0 12.7 243 263 B V - 0 0 93 -2,-0.4 2,-0.2 1,-0.1 80,-0.1 -0.519 31.7-148.4 -74.4 125.5 23.1 26.4 15.8 244 264 B L - 0 0 22 -2,-0.3 2,-0.3 78,-0.2 81,-0.2 -0.563 1.3-138.5 -93.0 154.4 19.4 27.3 16.1 245 265 B E - 0 0 81 -2,-0.2 78,-0.1 78,-0.2 -1,-0.0 -0.866 11.4-135.4-111.4 151.0 17.4 27.7 19.3 246 266 B S - 0 0 17 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.818 13.2-150.3 -75.2 -32.9 13.8 26.4 19.7 247 267 B H - 0 0 128 1,-0.2 -1,-0.1 2,-0.0 3,-0.1 0.677 32.6-175.7 63.5 17.6 12.2 29.3 21.4 248 268 B H - 0 0 15 1,-0.2 2,-1.4 77,-0.1 -1,-0.2 -0.126 34.1-112.3 -49.7 134.5 10.0 26.6 23.0 249 269 B N > - 0 0 92 1,-0.2 3,-1.3 9,-0.1 -1,-0.2 -0.576 37.3-179.0 -71.2 93.6 7.2 28.0 25.1 250 270 B H T 3 S+ 0 0 129 -2,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.737 72.9 73.4 -69.5 -22.7 8.5 26.8 28.5 251 271 B G T 3 S+ 0 0 71 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.380 87.9 83.0 -72.7 6.2 5.5 28.2 30.2 252 272 B Q S < S- 0 0 97 -3,-1.3 -4,-0.0 3,-0.0 0, 0.0 -0.890 94.8 -93.9-114.8 144.8 3.5 25.4 28.7 253 273 B P - 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