==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE/GROWTH FACTOR RECEPTOR 15-OCT-03 1R6G . COMPND 2 MOLECULE: THYROID HORMONE RECEPTOR BETA-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.J.HANGELAND,T.DEJNEKA,T.J.FRIENDS,P.DEVASTHALE, . 239 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12429.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 78.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 7 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 56.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.9 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 0 1 1 1 0 0 0 1 0 1 0 1 1 0 0 0 1 1 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 203 A E 0 0 122 0, 0.0 4,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -27.6 38.8 24.6 46.3 2 204 A L > + 0 0 134 2,-0.2 4,-1.6 3,-0.1 5,-0.1 0.751 360.0 52.5 -87.3 -37.2 37.9 24.8 50.1 3 205 A Q H >>S+ 0 0 111 1,-0.2 5,-2.6 2,-0.2 4,-0.8 0.859 108.4 53.3 -54.9 -38.0 37.2 21.1 49.9 4 206 A K H 45S+ 0 0 78 1,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.742 105.0 52.7 -69.1 -28.2 40.8 21.1 48.4 5 207 A S H 45S+ 0 0 101 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.800 112.2 44.4 -75.6 -31.6 42.1 23.1 51.4 6 208 A I H <5S- 0 0 128 -4,-1.6 -2,-0.2 -3,-0.0 -1,-0.2 0.604 109.9-123.2 -85.6 -13.7 40.7 20.5 53.9 7 209 A G T <5 + 0 0 48 -4,-0.8 -3,-0.2 -5,-0.1 -4,-0.1 0.957 58.1 152.0 65.1 50.8 42.0 17.6 51.7 8 210 A K < - 0 0 46 -5,-2.6 -4,-0.1 -6,-0.1 -5,-0.1 0.837 35.7-155.3 -80.6 -34.1 38.5 16.2 51.4 9 211 A K - 0 0 128 -6,-0.4 -5,-0.1 1,-0.1 2,-0.0 0.982 17.4-147.9 55.8 70.9 39.2 14.5 48.0 10 212 A P - 0 0 33 0, 0.0 179,-0.3 0, 0.0 180,-0.2 -0.254 5.5-135.7 -72.9 153.1 35.6 14.3 46.6 11 213 A E - 0 0 105 178,-0.2 176,-0.2 1,-0.1 175,-0.1 -0.671 49.5 -64.1-103.9 163.3 34.1 11.7 44.3 12 214 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 171,-0.1 -0.046 45.0-119.9 -64.6 144.4 32.0 12.7 41.4 13 215 A T > - 0 0 71 1,-0.1 4,-1.9 -3,-0.1 5,-0.1 -0.151 31.8-109.7 -58.9 166.8 28.6 14.5 41.6 14 216 A D H > S+ 0 0 135 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.926 124.0 55.2 -68.9 -47.0 25.6 12.6 40.0 15 217 A E H > S+ 0 0 171 1,-0.2 4,-0.8 2,-0.2 3,-0.5 0.888 110.2 48.0 -46.4 -43.6 25.5 15.2 37.2 16 218 A E H > S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.859 98.1 66.4 -69.2 -38.9 29.3 14.2 36.7 17 219 A W H X S+ 0 0 92 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.781 97.4 58.8 -55.9 -26.5 28.6 10.5 36.7 18 220 A E H X S+ 0 0 110 -4,-1.1 4,-1.9 -3,-0.5 -1,-0.2 0.952 102.8 49.4 -60.2 -55.9 26.7 11.2 33.5 19 221 A L H X S+ 0 0 27 -4,-0.8 4,-2.1 -3,-0.3 5,-0.2 0.833 112.9 48.1 -53.1 -36.3 29.8 12.6 31.8 20 222 A I H X S+ 0 0 5 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.819 107.6 55.4 -76.0 -36.0 31.8 9.5 32.9 21 223 A K H X S+ 0 0 118 -4,-1.6 4,-1.0 -5,-0.2 -2,-0.2 0.870 113.4 43.0 -59.2 -39.2 29.0 7.2 31.6 22 224 A T H X S+ 0 0 42 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.921 112.4 46.1 -81.1 -50.0 29.2 8.9 28.2 23 225 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.880 113.8 50.9 -66.5 -34.1 33.0 9.2 27.5 24 226 A T H X S+ 0 0 23 -4,-1.4 4,-2.5 -5,-0.2 -1,-0.2 0.873 114.3 44.1 -68.8 -34.3 33.5 5.7 28.7 25 227 A E H X S+ 0 0 119 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.948 114.9 47.5 -74.0 -51.9 30.8 4.4 26.3 26 228 A A H X S+ 0 0 4 -4,-3.1 4,-0.6 1,-0.2 -2,-0.2 0.837 118.1 45.1 -46.1 -39.9 32.0 6.6 23.4 27 229 A H H >X S+ 0 0 0 -4,-2.0 4,-0.9 -5,-0.3 3,-0.5 0.895 111.6 47.3 -77.8 -45.3 35.5 5.3 24.2 28 230 A V H 3< S+ 0 0 74 -4,-2.5 4,-0.3 1,-0.2 3,-0.3 0.834 108.8 58.4 -67.8 -30.9 34.8 1.6 24.6 29 231 A A H 3< S+ 0 0 66 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.793 118.3 30.3 -63.5 -31.7 32.8 1.8 21.4 30 232 A T H << S+ 0 0 7 -4,-0.6 -2,-0.2 -3,-0.5 -1,-0.2 0.307 97.1 83.2-117.9 5.7 35.8 3.0 19.5 31 233 A N < 0 0 25 -4,-0.9 -2,-0.1 -3,-0.3 -1,-0.1 0.452 360.0 360.0 -91.1 1.8 38.8 1.4 21.3 32 234 A A 0 0 100 -4,-0.3 -4,-0.1 -3,-0.1 -1,-0.1 -0.114 360.0 360.0 90.0 360.0 38.4 -1.9 19.4 33 ! 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 34 243 A R 0 0 146 0, 0.0 2,-0.4 0, 0.0 81,-0.2 0.000 360.0 360.0 360.0 169.6 47.0 -9.8 18.1 35 244 A K E -a 115 0A 138 79,-3.0 81,-2.3 2,-0.0 2,-0.5 -0.947 360.0-142.4-128.0 108.8 49.4 -10.2 15.2 36 245 A F E -a 116 0A 119 -2,-0.4 81,-0.1 79,-0.2 79,-0.1 -0.575 20.4-131.6 -66.4 118.1 53.2 -9.6 15.7 37 246 A L - 0 0 18 79,-1.3 81,-0.2 -2,-0.5 84,-0.1 -0.648 41.2 -98.5 -72.8 120.0 54.7 -7.9 12.7 38 247 A P > - 0 0 73 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.065 17.5-120.6 -44.1 148.1 57.8 -10.0 11.8 39 248 A E T 3> S+ 0 0 164 1,-0.3 4,-0.8 3,-0.1 -2,-0.1 0.670 109.8 82.4 -60.9 -20.3 61.3 -8.8 13.0 40 249 A D T 34 S+ 0 0 117 2,-0.1 2,-0.5 1,-0.0 -1,-0.3 0.848 80.9 67.3 -37.7 -51.4 61.8 -8.9 9.2 41 250 A I T <4 S+ 0 0 10 -3,-1.6 2,-0.3 1,-0.1 84,-0.1 -0.761 113.8 4.7 -90.8 124.9 60.1 -5.4 8.9 42 251 A G T 4 0 0 5 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 -0.471 360.0 360.0 102.7 -55.9 62.0 -2.4 10.3 43 252 A Q < 0 0 179 -4,-0.8 -1,-0.3 -2,-0.3 -3,-0.0 0.280 360.0 360.0 -25.9 360.0 65.2 -4.3 11.4 44 ! 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 45 264 A V 0 0 111 0, 0.0 2,-0.6 0, 0.0 80,-0.1 0.000 360.0 360.0 360.0 128.0 63.4 4.9 5.7 46 265 A D > - 0 0 49 78,-1.5 4,-1.9 1,-0.1 5,-0.1 -0.698 360.0-163.3 -71.5 115.1 62.1 1.4 5.6 47 266 A L H > S+ 0 0 115 -2,-0.6 4,-1.1 2,-0.2 -1,-0.1 0.566 87.1 53.6 -77.9 -9.6 59.5 1.6 2.8 48 267 A E H > S+ 0 0 93 2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.795 108.1 46.7 -96.6 -37.6 57.9 -1.7 3.9 49 268 A A H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.944 112.0 55.0 -60.1 -49.0 57.4 -0.7 7.5 50 269 A F H X S+ 0 0 14 -4,-1.9 4,-1.1 74,-0.2 -2,-0.2 0.907 109.0 47.7 -42.5 -53.6 56.0 2.6 5.9 51 270 A S H X S+ 0 0 45 -4,-1.1 4,-1.5 1,-0.2 3,-0.4 0.894 109.6 49.4 -61.9 -46.0 53.5 0.6 3.9 52 271 A H H < S+ 0 0 46 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.831 111.5 48.8 -69.1 -34.4 52.2 -1.7 6.7 53 272 A F H < S+ 0 0 22 -4,-1.8 -1,-0.2 1,-0.2 4,-0.2 0.641 112.9 46.5 -81.3 -19.7 51.5 1.2 9.2 54 273 A T H < S+ 0 0 31 -4,-1.1 4,-0.5 -3,-0.4 -2,-0.2 0.618 98.8 68.3 -99.2 -15.0 49.7 3.4 6.7 55 274 A K S < S+ 0 0 138 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.727 113.5 33.2 -59.8 -24.4 47.5 0.4 5.5 56 275 A I S > S+ 0 0 27 -4,-0.3 4,-1.1 2,-0.1 -2,-0.2 0.405 96.4 80.5-119.0 -2.5 45.9 0.6 9.0 57 276 A I H > S+ 0 0 27 -4,-0.2 4,-2.4 2,-0.2 5,-0.2 0.741 80.9 67.4 -83.5 -25.7 46.0 4.3 10.1 58 277 A T H > S+ 0 0 45 -4,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.938 105.5 42.4 -64.1 -46.6 42.8 5.3 8.1 59 278 A P H > S+ 0 0 60 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.887 111.7 56.7 -61.0 -40.5 40.6 3.2 10.4 60 279 A A H X S+ 0 0 15 -4,-1.1 4,-1.6 1,-0.2 -2,-0.2 0.919 107.7 47.5 -55.1 -48.4 42.5 4.4 13.5 61 280 A I H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.858 109.7 52.4 -61.1 -40.3 41.7 8.0 12.6 62 281 A T H X S+ 0 0 55 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.863 107.2 52.7 -68.2 -32.8 38.0 7.3 12.0 63 282 A R H X S+ 0 0 39 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.873 107.2 51.7 -69.5 -36.5 37.7 5.6 15.4 64 283 A V H X S+ 0 0 1 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.858 114.2 44.5 -67.4 -32.3 39.2 8.7 17.0 65 284 A V H X S+ 0 0 40 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.843 107.5 58.0 -72.9 -37.9 36.6 10.7 15.1 66 285 A D H X S+ 0 0 69 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.745 104.4 53.4 -67.4 -22.2 33.8 8.3 16.0 67 286 A F H X S+ 0 0 0 -4,-1.2 4,-0.6 2,-0.2 -1,-0.2 0.887 108.0 48.3 -78.3 -41.0 34.7 9.0 19.7 68 287 A A H < S+ 0 0 1 -4,-1.0 3,-0.4 1,-0.2 -2,-0.2 0.780 108.5 55.4 -68.5 -30.0 34.3 12.7 19.3 69 288 A K H < S+ 0 0 112 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.860 102.8 56.5 -70.6 -37.2 31.0 12.2 17.5 70 289 A K H < S+ 0 0 106 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.651 91.7 82.3 -73.9 -14.7 29.7 10.2 20.4 71 290 A L X - 0 0 4 -4,-0.6 4,-1.0 -3,-0.4 3,-0.2 -0.794 66.9-155.6 -91.0 127.2 30.3 13.1 22.9 72 291 A P H > S+ 0 0 77 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.775 89.9 61.0 -79.3 -25.8 27.5 15.8 22.9 73 292 A M H >4 S+ 0 0 35 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.888 104.8 52.2 -61.1 -40.0 29.6 18.7 24.2 74 293 A F H >4 S+ 0 0 2 1,-0.2 3,-1.3 -6,-0.2 -1,-0.2 0.885 106.2 53.7 -59.5 -39.5 31.7 18.2 21.0 75 294 A C H 3< S+ 0 0 54 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.603 94.1 69.5 -79.6 -9.8 28.6 18.4 18.9 76 295 A E T << S+ 0 0 141 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.584 85.2 95.9 -76.5 -9.2 27.5 21.7 20.4 77 296 A L S < S- 0 0 5 -3,-1.3 5,-0.1 -4,-0.3 -3,-0.0 -0.594 84.3 -99.0 -90.4 141.2 30.4 23.4 18.6 78 297 A P > - 0 0 52 0, 0.0 4,-2.3 0, 0.0 3,-0.5 0.004 40.9-105.3 -43.7 159.4 30.3 25.2 15.2 79 298 A C H > S+ 0 0 88 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.829 116.2 47.6 -69.8 -38.6 31.5 23.3 12.2 80 299 A E H > S+ 0 0 137 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.704 113.0 52.2 -77.2 -21.1 34.9 24.8 11.6 81 300 A D H > S+ 0 0 3 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.894 105.5 52.8 -78.7 -45.7 35.7 24.5 15.3 82 301 A Q H X S+ 0 0 33 -4,-2.3 4,-2.0 1,-0.2 3,-0.4 0.948 109.9 50.4 -48.7 -54.5 34.8 20.8 15.3 83 302 A I H X S+ 0 0 102 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.934 109.1 51.5 -45.7 -55.8 37.2 20.3 12.4 84 303 A I H X S+ 0 0 36 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.778 109.1 48.2 -62.3 -34.2 40.0 22.1 14.3 85 304 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 -3,-0.4 5,-0.4 0.974 110.1 51.1 -71.3 -52.1 39.8 20.1 17.5 86 305 A L H X S+ 0 0 22 -4,-2.0 4,-0.7 1,-0.3 -2,-0.2 0.763 109.2 52.3 -50.4 -33.4 39.8 16.7 15.7 87 306 A K H < S+ 0 0 70 -4,-1.5 4,-0.4 -5,-0.2 -1,-0.3 0.902 111.4 47.3 -74.0 -40.9 42.8 17.8 13.8 88 307 A G H >< S+ 0 0 25 -4,-1.5 3,-0.5 -3,-0.3 4,-0.5 0.985 120.5 30.3 -63.8 -65.1 44.7 18.7 16.9 89 308 A C H 3X>S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.6 0.565 90.9 100.2 -71.3 -13.7 44.2 15.8 19.3 90 309 A C H 3X5S+ 0 0 1 -4,-0.7 4,-1.8 -5,-0.4 -1,-0.2 0.893 96.1 29.6 -43.0 -54.7 43.9 13.2 16.5 91 310 A M H <>5S+ 0 0 16 -3,-0.5 4,-2.2 -4,-0.4 -1,-0.3 0.764 119.2 57.3 -74.9 -29.6 47.5 12.1 17.0 92 311 A E H >>5S+ 0 0 5 -4,-0.5 4,-1.6 2,-0.2 3,-0.5 0.996 111.7 40.7 -64.8 -62.7 47.5 12.9 20.7 93 312 A I H 3X5S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.885 114.7 55.5 -43.1 -49.5 44.5 10.7 21.4 94 313 A M H 3X< S+ 0 0 9 -4,-1.4 3,-2.3 -5,-0.2 12,-0.5 0.930 111.0 59.7 -75.8 -53.8 48.5 2.7 21.7 99 318 A A H >< S+ 0 0 0 -4,-3.0 3,-1.0 1,-0.3 -2,-0.2 0.783 100.3 55.0 -48.9 -39.0 50.8 3.5 24.7 100 319 A V T 3< S+ 0 0 48 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.601 100.0 63.8 -74.8 -13.6 48.3 2.0 27.3 101 320 A R T < S+ 0 0 57 -3,-2.3 -1,-0.3 -5,-0.2 9,-0.2 -0.222 76.4 125.9 -98.4 35.9 48.5 -1.3 25.3 102 321 A Y < - 0 0 31 -3,-1.0 7,-0.2 36,-0.2 33,-0.0 -0.573 41.3-167.2 -79.1 156.6 52.2 -1.6 26.0 103 322 A D B >> -C 108 0B 48 5,-0.6 4,-2.0 -2,-0.2 5,-1.1 -0.915 14.3-152.2-141.1 125.7 53.3 -4.9 27.5 104 323 A P T 45S+ 0 0 74 0, 0.0 -1,-0.0 0, 0.0 35,-0.0 0.644 87.9 70.0 -72.7 -15.8 56.8 -5.2 29.0 105 324 A E T 45S+ 0 0 160 1,-0.1 0, 0.0 3,-0.1 0, 0.0 0.997 121.7 15.1 -58.8 -59.9 57.1 -9.0 28.4 106 325 A S T 45S- 0 0 27 2,-0.1 -1,-0.1 -3,-0.0 3,-0.1 0.753 97.7-132.0 -83.3 -25.8 57.4 -8.5 24.6 107 326 A E T <5 + 0 0 114 -4,-2.0 12,-0.4 1,-0.2 2,-0.3 0.896 61.7 132.4 63.0 49.4 58.1 -4.7 24.6 108 327 A T B < -C 103 0B 4 -5,-1.1 -5,-0.6 10,-0.1 -1,-0.2 -0.962 49.3-146.1-129.1 144.5 55.4 -4.1 22.0 109 328 A L E -B 117 0A 0 8,-1.5 8,-1.4 -2,-0.3 2,-0.6 -0.606 24.1-123.7 -93.4 166.8 52.5 -1.7 21.5 110 329 A T E > -B 116 0A 18 -12,-0.5 3,-0.6 -2,-0.2 2,-0.4 -0.905 24.0-155.8-117.9 103.4 49.3 -2.8 19.7 111 330 A L E >> S-B 115 0A 28 4,-2.8 3,-1.6 -2,-0.6 4,-1.5 -0.649 76.0 -6.6 -82.5 127.6 48.5 -0.5 16.7 112 331 A N T 34 S- 0 0 39 -2,-0.4 -1,-0.2 1,-0.3 -14,-0.0 0.460 121.4 -73.8 69.1 5.8 44.9 -0.3 15.6 113 332 A G T <4 S+ 0 0 36 -3,-0.6 -1,-0.3 2,-0.2 -2,-0.1 0.620 130.3 55.0 82.0 15.4 44.1 -3.1 18.1 114 333 A E T <4 S+ 0 0 94 -3,-1.6 -79,-3.0 1,-0.2 2,-0.2 0.528 81.9 74.3-134.4 -61.1 45.8 -5.8 15.9 115 334 A M E < -aB 35 111A 20 -4,-1.5 -4,-2.8 -81,-0.2 2,-0.6 -0.467 59.6-153.1 -77.5 131.6 49.4 -5.2 14.9 116 335 A A E -aB 36 110A 2 -81,-2.3 -79,-1.3 -6,-0.2 2,-0.3 -0.904 18.8-178.1-115.4 110.7 52.2 -5.6 17.6 117 336 A V E - B 0 109A 0 -8,-1.4 -8,-1.5 -2,-0.6 2,-0.1 -0.760 20.8-136.8-115.0 145.4 55.4 -3.5 17.0 118 337 A T > - 0 0 60 -2,-0.3 4,-1.9 -10,-0.2 5,-0.3 -0.443 41.1 -97.0 -88.6 173.4 58.7 -3.2 18.8 119 338 A R H > S+ 0 0 74 -12,-0.4 4,-1.5 1,-0.2 13,-0.1 0.855 125.3 47.7 -61.6 -37.8 60.3 0.3 19.3 120 339 A G H > S+ 0 0 34 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.853 108.9 54.6 -68.4 -37.9 62.5 -0.1 16.2 121 340 A Q H > S+ 0 0 9 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.925 112.6 40.4 -63.4 -50.3 59.7 -1.2 14.0 122 341 A L H <>S+ 0 0 7 -4,-1.9 5,-0.9 1,-0.2 3,-0.3 0.916 117.9 51.3 -61.4 -43.6 57.4 1.8 14.7 123 342 A K H ><>S+ 0 0 77 -4,-1.5 5,-1.9 -5,-0.3 3,-1.4 0.905 106.3 52.2 -61.4 -46.0 60.4 4.1 14.5 124 343 A N H 3<5S+ 0 0 67 -4,-2.6 -78,-1.5 1,-0.3 -74,-0.2 0.713 92.9 72.2 -73.7 -21.6 61.8 2.8 11.2 125 344 A G T 3<5S- 0 0 12 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.472 131.2 -77.0 -69.9 -1.9 58.4 3.3 9.3 126 345 A G T < 5S+ 0 0 12 -3,-1.4 -2,-0.2 -4,-0.1 -3,-0.1 0.351 108.3 102.1 128.5 -1.2 59.1 7.1 9.5 127 346 A L T > < + 0 0 34 -5,-0.9 3,-2.2 -4,-0.4 -4,-0.2 0.718 48.9 177.5 -85.4 -24.0 58.2 8.2 13.1 128 347 A G T >> S+ 0 0 84 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.636 120.5 78.3 -58.5 -16.3 61.8 9.7 18.1 130 349 A V H <> S+ 0 0 0 -3,-2.2 4,-1.9 2,-0.2 -1,-0.3 0.869 94.5 51.3 -61.9 -34.4 58.0 9.8 17.9 131 350 A S H X> S+ 0 0 0 -3,-2.0 4,-1.9 2,-0.2 3,-0.7 0.999 107.6 49.6 -54.2 -67.1 58.3 6.1 18.4 132 351 A D H 3X S+ 0 0 37 -4,-0.7 4,-2.4 1,-0.2 -2,-0.2 0.776 111.0 52.5 -47.4 -30.8 60.6 6.5 21.4 133 352 A A H 3X S+ 0 0 32 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.917 109.1 46.7 -72.2 -45.3 58.0 9.0 22.9 134 353 A I H X S+ 0 0 7 -4,-1.3 4,-2.3 2,-0.2 3,-1.1 0.989 107.6 48.7 -75.5 -59.3 55.1 6.8 27.7 138 357 A G H 3X S+ 0 0 1 -4,-2.0 4,-0.7 1,-0.3 -36,-0.2 0.774 109.3 56.5 -47.4 -37.2 53.5 3.4 27.6 139 358 A M H 3X S+ 0 0 97 -4,-2.6 4,-0.6 2,-0.2 -1,-0.3 0.867 109.6 44.5 -56.1 -46.2 56.3 2.2 29.9 140 359 A S H XX S+ 0 0 34 -4,-1.2 3,-0.8 -3,-1.1 4,-0.5 0.900 111.5 51.8 -71.8 -39.3 55.3 4.9 32.5 141 360 A L H 3X>S+ 0 0 8 -4,-2.3 4,-1.5 1,-0.2 5,-0.5 0.595 88.9 81.8 -74.6 -14.9 51.6 4.2 32.2 142 361 A S H 3<5S+ 0 0 57 -4,-0.7 3,-0.3 -5,-0.3 -1,-0.2 0.951 98.4 42.7 -42.0 -53.0 52.3 0.5 32.8 143 362 A S H <<5S+ 0 0 90 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.724 103.9 63.1 -72.3 -27.3 52.4 1.5 36.5 144 363 A F H <5S- 0 0 15 -4,-0.5 -1,-0.2 49,-0.0 -2,-0.2 0.796 87.1-150.9 -75.7 -33.0 49.3 3.9 36.5 145 364 A N T <5 - 0 0 120 -4,-1.5 -3,-0.1 -3,-0.3 -2,-0.1 0.878 17.8-161.0 74.4 42.7 47.0 1.0 35.6 146 365 A L < - 0 0 32 -5,-0.5 -1,-0.2 1,-0.1 2,-0.1 -0.198 5.4-146.5 -69.1 142.7 44.4 3.1 33.7 147 366 A D > - 0 0 33 1,-0.1 4,-2.0 0, 0.0 3,-0.5 -0.377 35.8 -94.0 -95.4-179.6 40.8 1.8 33.0 148 367 A D H > S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.827 124.8 54.5 -64.9 -32.1 38.6 2.6 30.0 149 368 A T H > S+ 0 0 18 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.771 109.0 45.3 -71.7 -30.8 37.1 5.5 31.8 150 369 A E H > S+ 0 0 0 -3,-0.5 4,-2.8 2,-0.2 5,-0.2 0.864 114.6 46.6 -84.2 -43.7 40.4 7.3 32.7 151 370 A V H X S+ 0 0 5 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.910 112.6 54.4 -58.0 -40.1 41.8 6.8 29.2 152 371 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.3 -2,-0.2 0.960 111.5 41.6 -61.6 -50.8 38.4 8.0 28.1 153 372 A L H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.893 111.8 54.2 -65.6 -44.5 38.5 11.2 30.1 154 373 A L H X S+ 0 0 1 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.871 110.9 48.8 -49.8 -46.8 42.2 11.9 29.3 155 374 A Q H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.896 109.7 50.5 -57.5 -47.9 41.1 11.7 25.7 156 375 A A H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.715 108.4 52.8 -69.0 -23.8 38.2 14.0 26.3 157 376 A V H < S+ 0 0 5 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.903 110.6 47.7 -71.5 -45.0 40.6 16.5 28.0 158 377 A L H >< S+ 0 0 0 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.876 110.1 53.4 -62.3 -38.2 42.9 16.3 24.8 159 378 A L H 3< S+ 0 0 1 -4,-2.2 2,-1.3 1,-0.3 -1,-0.2 0.919 103.9 55.0 -64.3 -43.2 39.9 16.9 22.5 160 379 A M T 3< S+ 0 0 2 -4,-1.2 2,-0.8 -5,-0.1 -1,-0.3 -0.384 71.2 145.4 -96.5 56.9 38.6 20.0 24.2 161 380 A S X - 0 0 1 -2,-1.3 3,-1.3 -3,-0.5 13,-0.1 -0.819 32.8-167.6-103.5 103.0 41.8 22.0 24.0 162 381 A S T 3 S+ 0 0 22 -2,-0.8 5,-0.2 1,-0.3 -1,-0.1 0.576 75.7 83.7 -69.7 -3.8 41.0 25.7 23.5 163 382 A D T 3 + 0 0 100 7,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.453 61.6 120.1 -75.3 -0.3 44.7 26.3 22.6 164 383 A R S X S- 0 0 22 -3,-1.3 3,-1.6 1,-0.1 -79,-0.1 -0.478 73.1-103.8 -78.6 135.3 44.3 25.2 19.0 165 384 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.254 101.4 12.8 -53.9 131.8 45.2 27.8 16.3 166 385 A G T 3 S+ 0 0 70 1,-0.3 2,-0.2 -3,-0.1 -82,-0.1 0.550 83.8 150.5 78.9 11.5 42.2 29.4 14.6 167 386 A L < - 0 0 21 -3,-1.6 -1,-0.3 -5,-0.2 3,-0.2 -0.545 26.5-170.3 -75.8 146.6 39.5 28.2 17.1 168 387 A A S S+ 0 0 81 -2,-0.2 2,-1.0 1,-0.1 3,-0.3 0.815 76.5 54.8-105.3 -47.0 36.6 30.5 17.5 169 388 A C > + 0 0 26 1,-0.2 4,-1.6 2,-0.1 5,-0.2 -0.347 64.9 143.1 -88.1 54.0 34.7 29.1 20.5 170 389 A V H >> + 0 0 55 -2,-1.0 4,-2.3 1,-0.2 3,-0.8 0.974 66.4 50.3 -58.4 -61.5 37.6 29.2 23.0 171 390 A E H 3> S+ 0 0 168 -3,-0.3 4,-1.7 1,-0.3 -1,-0.2 0.838 113.3 46.4 -48.3 -42.3 35.8 30.2 26.1 172 391 A R H 3> S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.808 113.0 48.1 -73.3 -33.0 33.1 27.5 25.7 173 392 A I H X S+ 0 0 27 -4,-1.9 4,-1.3 1,-0.2 3,-0.6 0.925 110.6 52.2 -56.3 -44.3 33.7 22.0 28.6 177 396 A Q H >X S+ 0 0 32 -4,-2.5 4,-2.6 1,-0.3 3,-0.9 0.935 103.1 54.8 -61.8 -50.8 37.3 20.8 29.3 178 397 A D H 3X S+ 0 0 82 -4,-2.6 4,-1.0 1,-0.3 -1,-0.3 0.749 104.9 58.2 -51.0 -28.9 37.2 21.9 33.0 179 398 A S H S+ 0 0 12 -4,-2.0 4,-1.2 2,-0.2 5,-0.5 0.900 108.6 51.7 -66.6 -45.9 40.5 9.4 40.4 189 408 A N H ><5S+ 0 0 19 -4,-1.7 3,-0.5 -179,-0.3 -2,-0.2 0.915 111.1 49.4 -54.6 -47.1 39.6 10.2 44.0 190 409 A Y H 3<5S+ 0 0 111 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.727 108.0 51.9 -63.8 -33.4 37.0 7.5 43.8 191 410 A R H 3<5S- 0 0 84 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.704 93.7-148.7 -78.0 -20.6 39.4 4.9 42.4 192 411 A K T <<5 - 0 0 174 -4,-1.2 2,-0.2 -3,-0.5 -3,-0.1 0.963 14.2-157.4 41.5 74.2 41.9 5.5 45.2 193 412 A H < - 0 0 40 -5,-0.5 2,-1.5 2,-0.1 5,-0.1 -0.564 18.1-124.7 -74.2 138.7 45.2 4.8 43.2 194 413 A H S S+ 0 0 196 -2,-0.2 2,-0.1 -50,-0.1 -1,-0.1 -0.652 80.5 91.5 -86.1 75.1 48.2 3.7 45.4 195 414 A V S S- 0 0 43 -2,-1.5 -2,-0.1 -51,-0.0 -1,-0.0 -0.533 77.2-121.0-166.3 106.3 50.7 6.4 44.2 196 415 A T S S+ 0 0 110 1,-0.2 5,-0.1 -2,-0.1 -2,-0.1 -0.062 98.0 16.5 -47.3 142.1 51.1 9.9 45.9 197 416 A H S > S+ 0 0 135 3,-0.1 4,-1.1 1,-0.0 -1,-0.2 0.979 77.7 158.2 48.7 62.0 50.3 12.8 43.5 198 417 A F H > S+ 0 0 13 2,-0.2 4,-1.6 3,-0.1 5,-0.1 0.903 70.0 47.7 -74.8 -41.8 48.6 10.5 41.0 199 418 A W H > S+ 0 0 35 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.934 111.5 47.0 -72.7 -48.4 46.6 13.4 39.5 200 419 A P H > S+ 0 0 66 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.931 113.6 51.7 -51.5 -43.5 49.6 15.8 39.1 201 420 A K H < S+ 0 0 70 -4,-1.1 4,-0.4 1,-0.2 -2,-0.2 0.843 109.1 50.4 -63.1 -32.9 51.5 12.9 37.6 202 421 A L H >< S+ 0 0 1 -4,-1.6 3,-0.6 1,-0.2 4,-0.4 0.799 103.7 57.3 -78.5 -29.4 48.7 12.2 35.2 203 422 A L H 3X S+ 0 0 63 -4,-1.8 4,-1.0 1,-0.2 3,-0.4 0.731 98.0 61.2 -74.2 -22.5 48.4 15.8 34.0 204 423 A M H 3X S+ 0 0 103 -4,-1.1 4,-1.4 1,-0.2 -1,-0.2 0.715 94.6 63.7 -74.8 -19.0 52.0 15.7 32.9 205 424 A K H <> S+ 0 0 32 -3,-0.6 4,-1.3 -4,-0.4 -1,-0.2 0.734 96.6 58.1 -70.8 -22.1 51.0 12.9 30.6 206 425 A V H > S+ 0 0 17 -3,-0.4 4,-1.9 -4,-0.4 -2,-0.2 0.912 105.7 48.5 -72.6 -39.5 48.8 15.4 28.8 207 426 A T H X S+ 0 0 82 -4,-1.0 4,-1.9 1,-0.2 -2,-0.2 0.847 111.2 49.6 -63.6 -37.5 51.9 17.5 28.2 208 427 A D H X S+ 0 0 71 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.763 111.8 47.9 -74.7 -29.0 53.9 14.6 26.8 209 428 A L H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.821 108.5 54.5 -79.6 -35.3 51.1 13.6 24.5 210 429 A R H X S+ 0 0 53 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.925 109.2 49.5 -62.3 -43.7 50.8 17.1 23.3 211 430 A M H X S+ 0 0 106 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.913 107.7 53.3 -57.5 -49.1 54.5 17.0 22.5 212 431 A I H X S+ 0 0 5 -4,-1.7 4,-2.0 1,-0.2 5,-0.2 0.957 107.3 50.2 -58.1 -54.0 54.2 13.7 20.6 213 432 A G H X S+ 0 0 11 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.900 116.6 42.5 -42.5 -51.3 51.5 15.1 18.4 214 433 A A H X S+ 0 0 60 -4,-1.8 4,-2.0 2,-0.2 3,-0.2 0.921 113.0 51.1 -61.9 -49.7 53.6 18.2 17.6 215 434 A C H X S+ 0 0 48 -4,-3.0 4,-1.3 1,-0.3 -1,-0.2 0.676 109.8 52.2 -65.7 -24.3 56.8 16.2 17.2 216 435 A H H X S+ 0 0 13 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.3 0.786 105.9 53.1 -79.8 -36.4 54.8 13.9 14.8 217 436 A A H X S+ 0 0 49 -4,-1.4 4,-0.7 -3,-0.2 -2,-0.2 0.867 111.9 45.5 -66.7 -38.6 53.7 17.0 12.7 218 437 A S H >X S+ 0 0 56 -4,-2.0 3,-1.6 2,-0.2 4,-1.4 0.944 111.1 52.7 -65.6 -50.8 57.3 18.1 12.4 219 438 A R H >X S+ 0 0 62 -4,-1.3 4,-1.4 1,-0.3 3,-0.5 0.899 103.9 57.9 -48.6 -43.2 58.2 14.5 11.6 220 439 A F H 3X S+ 0 0 11 -4,-2.2 4,-2.0 1,-0.3 -1,-0.3 0.693 102.0 55.0 -65.3 -21.9 55.5 14.6 8.9 221 440 A L H - 0 0 69 0, 0.0 3,-1.7 0, 0.0 -3,-0.1 -0.170 21.2-107.1 -58.3 159.8 55.7 12.5 -2.1 229 448 A T G > S+ 0 0 66 1,-0.3 3,-1.5 -5,-0.1 8,-0.1 0.682 110.3 77.1 -62.3 -23.8 52.1 13.3 -0.9 230 449 A E G 3 S+ 0 0 182 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.751 84.9 63.5 -58.7 -27.2 50.7 10.6 -3.2 231 450 A L G < S+ 0 0 89 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.1 0.378 85.9 92.5 -78.2 3.1 51.8 7.9 -0.8 232 451 A F S < S- 0 0 14 -3,-1.5 5,-0.1 -4,-0.1 -178,-0.0 -0.875 85.1-107.0-117.5 126.5 49.6 9.0 2.0 233 452 A P >> - 0 0 19 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.207 35.1-121.7 -48.8 123.5 46.0 7.7 2.8 234 453 A P H 3> S+ 0 0 107 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.678 110.7 51.0 -43.9 -29.5 43.6 10.6 1.8 235 454 A L H 3> S+ 0 0 53 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.918 107.6 52.7 -75.4 -45.0 42.1 10.9 5.3 236 455 A F H <> S+ 0 0 12 -3,-0.7 4,-0.9 1,-0.2 3,-0.4 0.929 111.6 47.3 -49.6 -50.6 45.6 11.1 6.9 237 456 A L H >X S+ 0 0 34 -4,-1.9 4,-1.0 1,-0.2 3,-0.7 0.909 108.5 53.0 -59.3 -44.4 46.3 14.0 4.5 238 457 A E H 3< S+ 0 0 151 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.821 115.9 41.8 -62.1 -28.8 43.1 15.8 5.2 239 458 A V H 3< S+ 0 0 18 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.468 121.2 36.2 -98.2 -9.8 43.8 15.7 9.0 240 459 A F H << 0 0 33 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.1 0.302 360.0 360.0-128.4 7.7 47.5 16.5 9.1 241 460 A E < 0 0 119 -4,-1.0 -3,-0.1 -5,-0.1 -2,-0.1 0.906 360.0 360.0-101.5 360.0 48.1 19.1 6.3