==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECEPTOR 28-AUG-06 2J4A . COMPND 2 MOLECULE: THYROID HORMONE RECEPTOR BETA-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.FARNEGARDH . 250 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12622.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 3.2 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 . 10 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 54.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 0 0 0 0 1 1 0 0 0 1 0 0 0 1 2 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 . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 211 A K 0 0 214 0, 0.0 2,-0.0 0, 0.0 194,-0.0 0.000 360.0 360.0 360.0 86.7 23.3 -2.3 10.4 2 212 A P - 0 0 79 0, 0.0 196,-0.3 0, 0.0 197,-0.2 -0.292 360.0-142.6 -65.1 143.9 26.3 -0.4 11.7 3 213 A E - 0 0 96 1,-0.2 193,-0.2 195,-0.1 192,-0.1 -0.522 46.1 -61.0 -97.8 171.0 26.6 0.3 15.4 4 214 A P - 0 0 10 0, 0.0 -1,-0.2 0, 0.0 188,-0.1 -0.240 50.9-127.3 -60.4 140.6 28.0 3.5 16.8 5 215 A T > - 0 0 71 1,-0.1 4,-2.0 -3,-0.1 5,-0.2 -0.180 33.6 -98.2 -72.3 173.1 31.6 4.6 15.8 6 216 A D H > S+ 0 0 140 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.846 127.1 49.8 -65.9 -32.0 34.0 5.6 18.6 7 217 A E H > S+ 0 0 163 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.849 108.8 52.5 -74.4 -33.6 33.3 9.2 18.0 8 218 A E H > S+ 0 0 21 2,-0.2 4,-3.4 1,-0.2 -2,-0.2 0.865 104.2 55.6 -70.1 -35.6 29.5 8.6 18.2 9 219 A W H X S+ 0 0 84 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.889 106.0 52.9 -62.8 -37.9 29.9 6.8 21.5 10 220 A E H X S+ 0 0 128 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.928 112.1 44.4 -61.1 -46.0 31.6 9.9 22.8 11 221 A L H X S+ 0 0 32 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.943 113.4 51.1 -62.8 -48.3 28.6 12.0 21.7 12 222 A I H X S+ 0 0 5 -4,-3.4 4,-2.6 1,-0.2 5,-0.2 0.911 109.9 49.2 -55.6 -47.1 26.2 9.4 23.1 13 223 A K H X S+ 0 0 113 -4,-3.1 4,-2.3 1,-0.2 5,-0.3 0.906 111.7 51.5 -60.3 -41.7 28.0 9.5 26.5 14 224 A T H X S+ 0 0 51 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.958 113.8 40.0 -61.7 -54.2 27.8 13.3 26.4 15 225 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.883 115.2 52.7 -65.0 -39.4 24.1 13.6 25.7 16 226 A T H X S+ 0 0 19 -4,-2.6 4,-3.2 -5,-0.3 5,-0.2 0.954 112.2 43.1 -61.4 -51.5 23.1 10.8 28.0 17 227 A E H X S+ 0 0 105 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.885 112.7 54.8 -61.3 -38.7 25.0 12.2 31.0 18 228 A A H X S+ 0 0 4 -4,-2.1 4,-0.6 -5,-0.3 -1,-0.2 0.925 113.4 41.8 -59.5 -45.2 23.7 15.6 30.2 19 229 A H H >X S+ 0 0 2 -4,-2.5 3,-1.3 2,-0.2 4,-0.8 0.948 113.2 51.2 -67.3 -51.3 20.1 14.2 30.2 20 230 A V H ><>S+ 0 0 60 -4,-3.2 3,-0.9 1,-0.3 5,-0.5 0.900 108.6 53.0 -54.5 -43.5 20.6 12.1 33.3 21 231 A A H 3<5S+ 0 0 70 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.673 119.1 34.8 -67.9 -17.5 22.0 15.1 35.2 22 232 A T H <<5S+ 0 0 5 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.288 95.5 83.9-121.0 10.8 19.0 17.2 34.3 23 233 A N T <<5S- 0 0 9 -3,-0.9 -2,-0.1 -4,-0.8 -3,-0.1 0.291 89.8-128.2 -97.5 10.2 16.2 14.6 34.4 24 234 A A T 5 + 0 0 49 -4,-0.1 5,-0.1 -3,-0.1 -3,-0.1 0.905 66.0 130.0 44.3 57.3 15.6 14.8 38.1 25 235 A Q < + 0 0 31 -5,-0.5 3,-0.4 3,-0.1 -1,-0.1 -0.015 20.3 111.2-130.8 33.7 15.8 11.0 38.6 26 236 A G S S+ 0 0 86 1,-0.3 2,-0.9 -5,-0.1 -1,-0.1 0.971 92.0 33.9 -67.6 -53.4 18.2 10.3 41.4 27 237 A S S S- 0 0 85 -3,-0.0 -1,-0.3 95,-0.0 5,-0.2 -0.849 113.7-112.4-103.5 93.0 15.5 9.1 43.7 28 238 A H >> - 0 0 94 -2,-0.9 3,-1.8 -3,-0.4 4,-1.5 0.120 14.9-125.9 -37.7 126.8 13.2 7.4 41.1 29 239 A W H 3> S+ 0 0 45 1,-0.3 4,-3.0 2,-0.2 -1,-0.1 0.716 100.7 69.8 -41.5 -45.3 9.8 8.9 40.5 30 240 A K H 34 S+ 0 0 102 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.871 114.9 30.7 -48.0 -38.4 7.6 5.8 41.1 31 241 A Q H <4 S+ 0 0 161 -3,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.858 122.0 48.1 -88.7 -40.9 8.6 6.1 44.8 32 242 A K H < S+ 0 0 99 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.728 86.5 110.0 -74.9 -23.7 9.0 9.9 45.0 33 243 A R < - 0 0 38 -4,-3.0 2,-0.4 -5,-0.2 91,-0.2 -0.200 49.6-160.2 -62.4 142.4 5.8 10.9 43.3 34 244 A K E -a 124 0A 143 89,-2.4 91,-2.7 3,-0.0 2,-0.5 -0.951 23.3-122.8-116.9 137.8 2.8 12.5 45.1 35 245 A F E -a 125 0A 108 -2,-0.4 91,-0.2 89,-0.2 3,-0.1 -0.739 24.0-118.1 -88.7 124.6 -0.6 12.3 43.4 36 246 A L - 0 0 14 89,-2.3 91,-0.1 -2,-0.5 94,-0.1 -0.449 48.4 -95.1 -57.9 121.2 -2.2 15.6 42.8 37 247 A P > - 0 0 77 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.075 26.2-128.3 -41.9 130.4 -5.5 15.3 44.9 38 248 A E T 3 S+ 0 0 156 1,-0.3 4,-0.2 -3,-0.1 -2,-0.1 0.766 106.5 71.0 -54.6 -25.9 -8.4 14.2 42.7 39 249 A D T > S+ 0 0 112 2,-0.1 3,-1.6 3,-0.0 2,-0.3 0.887 82.5 82.9 -58.2 -40.2 -10.3 17.2 44.1 40 250 A I T < S+ 0 0 11 -3,-1.6 3,-0.1 1,-0.3 94,-0.1 -0.522 101.8 15.7 -71.0 124.6 -8.0 19.5 42.1 41 251 A G T 3 S+ 0 0 6 -2,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.281 94.7 134.7 94.9 -8.8 -9.2 19.8 38.5 42 252 A Q < - 0 0 106 -3,-1.6 -1,-0.3 -4,-0.2 -3,-0.0 -0.622 54.8-131.5 -80.4 124.2 -12.6 18.3 39.5 43 253 A A - 0 0 61 -2,-0.4 3,-0.1 1,-0.1 -1,-0.1 -0.597 8.2-155.7 -76.6 125.0 -15.6 20.2 38.1 44 254 A P S S+ 0 0 123 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.902 85.7 48.1 -67.4 -40.3 -18.3 20.9 40.7 45 255 A I > - 0 0 111 1,-0.2 3,-1.5 3,-0.0 -2,-0.0 -0.871 68.7-166.5-109.1 103.8 -21.1 21.1 38.2 46 256 A V T 3 S+ 0 0 123 -2,-0.7 -1,-0.2 1,-0.3 -3,-0.0 0.842 84.8 51.0 -52.9 -43.5 -21.1 18.1 35.8 47 257 A N T 3 S+ 0 0 150 2,-0.1 -1,-0.3 3,-0.0 3,-0.0 0.383 80.4 106.2 -84.2 4.8 -23.6 19.6 33.3 48 258 A A S < S- 0 0 48 -3,-1.5 -5,-0.0 1,-0.1 -3,-0.0 -0.713 84.6-102.1 -83.3 131.7 -21.9 23.0 32.8 49 259 A P - 0 0 102 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.251 21.4-148.4 -55.2 138.5 -20.2 23.0 29.4 50 260 A E > + 0 0 154 1,-0.1 3,-1.7 2,-0.1 -2,-0.0 0.851 39.6 153.9 -76.5 -37.7 -16.4 22.5 29.5 51 261 A G T 3 S- 0 0 71 1,-0.2 -1,-0.1 0, 0.0 0, 0.0 -0.044 74.6 -44.6 41.9-140.2 -15.7 24.6 26.4 52 262 A G T 3 S+ 0 0 32 2,-0.1 -1,-0.2 85,-0.0 183,-0.1 0.087 94.6 140.0-108.5 24.3 -12.2 26.0 26.5 53 263 A K < - 0 0 126 -3,-1.7 2,-0.4 -4,-0.1 82,-0.2 -0.125 44.1-134.1 -66.0 160.3 -12.2 27.1 30.1 54 264 A V - 0 0 17 181,-0.2 2,-0.9 80,-0.1 80,-0.2 -0.971 10.6-131.1-123.2 128.0 -9.3 26.7 32.5 55 265 A D > - 0 0 44 78,-2.8 4,-2.9 -2,-0.4 5,-0.2 -0.666 22.6-160.7 -73.1 108.4 -9.4 25.4 36.1 56 266 A L H > S+ 0 0 75 -2,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.792 86.0 53.5 -65.1 -30.5 -7.4 28.2 37.8 57 267 A E H > S+ 0 0 94 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.939 113.5 42.8 -69.6 -46.5 -6.6 26.1 40.9 58 268 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.951 112.9 54.2 -62.1 -47.0 -5.1 23.3 38.7 59 269 A F H X S+ 0 0 5 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.883 105.0 55.0 -52.4 -41.8 -3.4 26.0 36.5 60 270 A S H X S+ 0 0 49 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.898 107.1 48.4 -61.5 -43.5 -1.8 27.4 39.7 61 271 A H H X S+ 0 0 60 -4,-1.7 4,-1.4 -3,-0.3 -1,-0.2 0.861 112.1 51.0 -65.8 -35.2 -0.2 24.1 40.7 62 272 A F H X S+ 0 0 22 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.884 107.6 48.8 -71.3 -40.8 1.1 23.6 37.2 63 273 A T H X S+ 0 0 10 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.741 107.6 59.6 -72.3 -19.1 2.8 27.0 36.7 64 274 A K H < S+ 0 0 153 -4,-1.0 3,-0.2 -5,-0.2 -1,-0.2 0.926 114.2 32.7 -72.8 -45.0 4.4 26.4 40.1 65 275 A I H X S+ 0 0 34 -4,-1.4 4,-0.9 1,-0.2 -2,-0.2 0.712 106.2 73.5 -85.2 -20.0 6.2 23.2 39.1 66 276 A I H X S+ 0 0 30 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.825 86.0 62.3 -66.4 -30.8 6.8 24.2 35.4 67 277 A T H X S+ 0 0 36 -4,-0.7 4,-2.1 -3,-0.2 -1,-0.2 0.923 104.0 45.4 -65.0 -43.6 9.5 26.8 36.1 68 278 A P H > S+ 0 0 73 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.801 113.7 53.3 -68.7 -23.4 12.1 24.3 37.6 69 279 A A H X S+ 0 0 10 -4,-0.9 4,-1.3 2,-0.2 -2,-0.2 0.888 107.0 50.3 -74.1 -39.7 11.2 22.0 34.7 70 280 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 3,-0.4 0.911 108.2 53.3 -63.5 -42.7 11.9 24.7 32.2 71 281 A T H X S+ 0 0 60 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.839 103.6 56.5 -63.5 -33.7 15.2 25.4 33.8 72 282 A R H X S+ 0 0 42 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.850 104.2 52.8 -69.4 -30.5 16.2 21.7 33.5 73 283 A V H X S+ 0 0 2 -4,-1.3 4,-2.3 -3,-0.4 -2,-0.2 0.930 110.9 47.8 -66.9 -43.1 15.7 21.8 29.8 74 284 A V H X S+ 0 0 41 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.924 111.2 49.4 -62.2 -45.7 18.0 24.8 29.6 75 285 A D H < S+ 0 0 69 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.871 108.8 54.6 -62.7 -36.5 20.6 23.1 31.7 76 286 A F H >< S+ 0 0 0 -4,-2.0 3,-1.5 2,-0.2 4,-0.2 0.965 111.8 42.5 -59.7 -53.3 20.4 20.1 29.5 77 287 A A H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.3 7,-0.3 0.916 110.3 57.6 -59.6 -43.4 21.0 22.1 26.4 78 288 A K T 3< S+ 0 0 93 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.511 98.0 62.1 -67.4 -5.1 23.8 24.0 28.2 79 289 A K T < S+ 0 0 105 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.437 85.9 89.8 -97.0 -1.6 25.6 20.8 28.9 80 290 A L <> - 0 0 2 -3,-2.1 4,-2.6 -4,-0.2 5,-0.2 -0.861 67.2-152.8-100.5 117.7 26.0 20.1 25.2 81 291 A P H > S+ 0 0 74 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.892 96.7 54.4 -51.0 -46.9 29.2 21.6 23.7 82 292 A M H 4 S+ 0 0 39 1,-0.2 3,-0.3 2,-0.2 4,-0.2 0.929 111.7 44.3 -55.1 -49.1 27.6 21.9 20.2 83 293 A F H >4 S+ 0 0 0 -6,-0.2 3,-2.4 1,-0.2 -1,-0.2 0.936 107.6 57.8 -62.2 -49.9 24.8 23.9 21.7 84 294 A C H 3< S+ 0 0 53 -4,-2.6 -1,-0.2 -7,-0.3 -2,-0.2 0.780 101.9 56.4 -53.6 -31.2 26.9 26.2 23.8 85 295 A E T 3< S+ 0 0 125 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.475 85.9 101.5 -83.6 0.0 28.9 27.3 20.8 86 296 A L S < S- 0 0 4 -3,-2.4 5,-0.1 -4,-0.2 -3,-0.0 -0.516 89.7 -91.3 -80.1 151.8 25.8 28.6 19.0 87 297 A P >> - 0 0 56 0, 0.0 4,-2.2 0, 0.0 3,-0.8 -0.333 36.3-116.1 -61.3 146.6 25.1 32.3 19.1 88 298 A C H 3> S+ 0 0 88 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.864 114.8 58.6 -51.9 -40.8 23.0 33.3 22.0 89 299 A E H 3> S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.883 109.7 43.3 -58.3 -40.2 20.2 34.5 19.7 90 300 A D H <> S+ 0 0 2 -3,-0.8 4,-2.8 2,-0.2 -1,-0.2 0.867 109.8 56.6 -73.0 -37.8 20.0 31.0 18.2 91 301 A Q H X S+ 0 0 20 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.931 108.0 49.0 -57.9 -45.3 20.2 29.4 21.6 92 302 A I H X S+ 0 0 89 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.936 112.1 47.3 -59.6 -50.2 17.2 31.4 22.7 93 303 A I H X S+ 0 0 44 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.897 112.0 49.8 -61.3 -41.5 15.2 30.4 19.6 94 304 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.895 113.0 47.4 -65.6 -37.7 16.0 26.7 19.9 95 305 A L H X S+ 0 0 26 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.915 111.3 48.2 -70.6 -44.2 15.0 26.7 23.5 96 306 A K H < S+ 0 0 83 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.854 115.3 49.8 -63.6 -30.9 11.7 28.4 23.0 97 307 A G H < S+ 0 0 22 -4,-1.8 4,-0.2 -5,-0.3 -2,-0.2 0.856 121.9 26.5 -77.2 -36.3 11.1 26.0 20.2 98 308 A C H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.1 5,-0.3 0.499 91.7 97.4-106.1 -5.0 11.9 22.7 21.9 99 309 A C H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.926 92.8 36.6 -50.3 -56.6 11.1 23.5 25.6 100 310 A M H > S+ 0 0 14 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.849 114.6 58.5 -65.6 -34.8 7.6 22.0 25.6 101 311 A E H > S+ 0 0 4 -4,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.908 111.3 40.5 -60.4 -44.6 8.6 19.2 23.3 102 312 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.901 114.8 50.3 -73.4 -42.1 11.3 18.0 25.7 103 313 A M H X S+ 0 0 25 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.882 110.3 51.2 -63.8 -37.5 9.2 18.5 28.8 104 314 A S H X S+ 0 0 3 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.882 110.0 49.5 -67.0 -37.9 6.3 16.6 27.2 105 315 A L H X S+ 0 0 1 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.940 109.4 52.0 -64.3 -46.3 8.7 13.7 26.4 106 316 A R H < S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.817 115.0 42.0 -61.0 -32.1 10.0 13.6 29.9 107 317 A A H >< S+ 0 0 7 -4,-1.6 3,-1.2 -5,-0.2 12,-0.6 0.881 111.5 55.8 -80.4 -39.9 6.5 13.4 31.3 108 318 A A H >< S+ 0 0 1 -4,-2.7 3,-1.1 1,-0.3 -2,-0.2 0.819 101.9 55.1 -62.6 -35.4 5.3 10.9 28.6 109 319 A V T 3< S+ 0 0 52 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.1 0.626 104.4 58.1 -74.8 -11.0 8.1 8.4 29.5 110 320 A R T < S+ 0 0 8 -3,-1.2 9,-0.8 -5,-0.2 -1,-0.3 -0.062 75.8 139.0-106.1 30.1 6.8 8.5 33.1 111 321 A Y E < -B 118 0A 23 -3,-1.1 7,-0.2 7,-0.2 -3,-0.1 -0.569 39.7-154.7 -74.8 138.4 3.3 7.4 32.2 112 322 A D E >> -B 117 0A 15 5,-2.7 4,-2.2 -2,-0.2 5,-1.2 -0.952 11.1-166.6-119.6 111.6 1.8 4.9 34.6 113 323 A P T 45S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 35,-0.0 0.766 86.3 62.9 -65.8 -26.4 -0.9 2.6 33.3 114 324 A E T 45S+ 0 0 167 1,-0.2 -2,-0.0 3,-0.1 0, 0.0 0.997 123.5 15.3 -61.6 -64.6 -1.9 1.5 36.8 115 325 A S T 45S- 0 0 40 2,-0.1 -1,-0.2 12,-0.0 3,-0.1 0.626 100.6-129.0 -85.3 -13.9 -3.0 5.0 38.0 116 326 A E T <5 + 0 0 126 -4,-2.2 12,-0.5 1,-0.2 2,-0.3 0.948 62.6 132.6 63.7 47.8 -3.2 6.4 34.5 117 327 A T E < -BC 112 127A 5 -5,-1.2 -5,-2.7 10,-0.2 2,-0.4 -0.890 55.7-135.7-128.4 160.3 -1.1 9.4 35.4 118 328 A L E -BC 111 126A 0 8,-2.2 8,-2.5 -2,-0.3 2,-0.7 -0.913 25.3-136.0-107.7 139.1 1.9 11.2 34.0 119 329 A T E > - C 0 125A 0 -9,-0.8 3,-0.5 -12,-0.6 2,-0.4 -0.906 16.6-149.4-102.6 117.1 4.5 12.1 36.6 120 330 A L E >> S- C 0 124A 28 4,-3.7 3,-2.8 -2,-0.7 4,-2.2 -0.714 76.7 -12.2 -88.0 131.1 5.8 15.7 36.2 121 331 A S T 34 S- 0 0 34 -2,-0.4 -1,-0.2 1,-0.3 4,-0.1 0.702 115.5 -79.7 53.5 20.2 9.4 16.4 37.2 122 332 A G T <4 S+ 0 0 4 -3,-0.5 -1,-0.3 2,-0.2 -90,-0.1 0.676 128.1 76.5 63.3 17.9 9.2 13.0 38.9 123 333 A E T <4 S+ 0 0 38 -3,-2.8 -89,-2.4 1,-0.2 2,-0.5 0.641 83.8 49.7-127.4 -32.4 7.3 14.6 41.8 124 334 A M E < -aC 34 120A 26 -4,-2.2 -4,-3.7 -91,-0.2 2,-0.5 -0.954 60.6-160.2-121.3 119.9 3.7 15.2 40.8 125 335 A A E +aC 35 119A 1 -91,-2.7 -89,-2.3 -2,-0.5 2,-0.3 -0.843 18.3 179.7 -98.7 125.4 1.5 12.6 39.2 126 336 A V E - C 0 118A 0 -8,-2.5 -8,-2.2 -2,-0.5 2,-0.1 -0.905 21.4-125.2-126.5 154.0 -1.6 14.0 37.4 127 337 A T E > - C 0 117A 54 -2,-0.3 4,-2.2 -10,-0.2 5,-0.3 -0.409 33.5-102.4 -90.1 170.2 -4.4 12.5 35.4 128 338 A R H > S+ 0 0 71 -12,-0.5 4,-2.5 1,-0.2 5,-0.2 0.943 122.4 48.1 -56.2 -50.8 -5.5 13.2 31.9 129 339 A G H > S+ 0 0 31 2,-0.2 4,-3.4 1,-0.2 5,-0.4 0.881 109.0 52.5 -59.4 -43.1 -8.4 15.4 33.1 130 340 A Q H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.948 115.6 39.4 -59.2 -51.3 -6.3 17.3 35.6 131 341 A L H <>S+ 0 0 13 -4,-2.2 5,-1.9 2,-0.2 6,-0.4 0.854 118.2 51.1 -68.3 -34.8 -3.8 18.4 33.0 132 342 A K H ><>S+ 0 0 70 -4,-2.5 5,-2.2 -5,-0.3 3,-1.2 0.973 117.4 35.9 -65.8 -56.2 -6.5 18.9 30.4 133 343 A N H 3<5S+ 0 0 53 -4,-3.4 -78,-2.8 1,-0.3 -2,-0.2 0.814 107.8 69.5 -67.2 -31.8 -8.7 21.1 32.5 134 344 A G T 3<5S- 0 0 2 -4,-2.2 -1,-0.3 -5,-0.4 -2,-0.2 0.470 131.2 -71.4 -67.4 -3.3 -5.7 22.7 34.1 135 345 A G T < 5S+ 0 0 2 -3,-1.2 -3,-0.2 -82,-0.2 -2,-0.1 0.167 113.0 88.2 139.2 -26.1 -4.8 24.5 30.9 136 346 A L T > < - 0 0 22 -5,-1.9 3,-1.7 1,-0.2 -4,-0.2 0.795 57.8-176.9 -78.3 -24.3 -3.5 22.1 28.2 137 347 A G T >> S+ 0 0 95 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.657 124.5 75.3 -64.2 -16.1 -6.4 18.6 24.0 139 349 A V H <> S+ 0 0 2 -3,-1.7 4,-2.6 1,-0.2 -1,-0.3 0.864 91.7 56.5 -63.7 -33.4 -2.6 18.8 24.3 140 350 A S H <> S+ 0 0 0 -3,-1.5 4,-2.7 1,-0.2 5,-0.2 0.938 105.3 50.7 -60.4 -47.2 -3.0 16.8 27.5 141 351 A D H X S+ 0 0 34 -4,-0.7 4,-2.4 1,-0.2 -2,-0.2 0.889 109.9 50.9 -57.2 -40.9 -4.7 14.1 25.4 142 352 A A H X S+ 0 0 40 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.926 111.7 46.4 -64.1 -45.1 -1.9 14.1 22.9 143 353 A I H X S+ 0 0 5 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.894 114.0 47.4 -65.2 -41.7 0.8 13.8 25.7 144 354 A F H X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.895 111.5 50.2 -67.5 -40.4 -1.1 10.9 27.4 145 355 A D H X S+ 0 0 85 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.887 112.4 48.6 -64.6 -37.2 -1.7 9.1 24.2 146 356 A L H X S+ 0 0 5 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.909 110.3 51.1 -67.4 -41.8 2.0 9.4 23.4 147 357 A G H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 3,-0.3 0.943 110.0 49.0 -59.9 -47.7 2.9 8.2 26.9 148 358 A M H < S+ 0 0 91 -4,-2.7 4,-0.3 1,-0.2 3,-0.2 0.899 112.0 50.1 -57.0 -42.7 0.6 5.2 26.5 149 359 A S H >< S+ 0 0 39 -4,-2.0 3,-0.6 1,-0.2 4,-0.2 0.785 107.6 52.4 -68.5 -31.5 2.3 4.5 23.1 150 360 A L H >X S+ 0 0 9 -4,-1.9 3,-2.1 -3,-0.3 4,-0.7 0.764 84.0 87.7 -77.6 -26.8 5.8 4.7 24.4 151 361 A S T 3< S+ 0 0 68 -4,-1.4 3,-0.3 1,-0.3 -1,-0.2 0.762 91.3 46.3 -42.7 -35.7 5.3 2.2 27.2 152 362 A S T <4 S+ 0 0 103 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.665 96.3 74.4 -85.3 -17.1 6.2 -0.7 24.9 153 363 A F T <4 S- 0 0 25 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.766 82.5-148.9 -68.1 -27.2 9.3 0.9 23.4 154 364 A N < - 0 0 117 -4,-0.7 -3,-0.1 -3,-0.3 -1,-0.1 0.777 22.2-167.7 64.0 27.4 11.4 0.4 26.6 155 365 A L - 0 0 32 -5,-0.4 -1,-0.2 4,-0.1 2,-0.1 -0.190 4.4-149.5 -51.8 127.2 13.4 3.6 25.8 156 366 A D > - 0 0 33 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.366 33.6 -90.1 -91.9 178.2 16.5 3.9 27.9 157 367 A D H > S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.801 126.5 52.8 -57.8 -32.3 18.2 7.1 29.1 158 368 A T H > S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.929 109.9 46.5 -70.9 -44.2 20.4 7.2 26.0 159 369 A E H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.851 114.7 47.0 -66.8 -35.4 17.4 7.0 23.6 160 370 A V H X S+ 0 0 8 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.930 112.7 50.2 -70.3 -45.0 15.4 9.6 25.5 161 371 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.871 110.6 49.7 -58.6 -40.6 18.5 11.9 25.6 162 372 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.853 108.0 52.5 -69.8 -35.9 19.0 11.4 21.9 163 373 A L H X S+ 0 0 1 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.914 108.9 51.8 -64.0 -42.3 15.4 12.2 21.1 164 374 A Q H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.875 109.2 49.2 -61.2 -39.9 15.8 15.4 23.2 165 375 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.907 108.9 52.8 -66.5 -43.3 19.0 16.4 21.2 166 376 A V H < S+ 0 0 5 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.893 113.0 44.0 -59.2 -42.6 17.2 15.8 17.9 167 377 A L H >< S+ 0 0 0 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.869 112.5 53.5 -70.0 -38.5 14.3 18.1 18.9 168 378 A L H 3< S+ 0 0 0 -4,-2.2 2,-1.3 1,-0.3 -2,-0.2 0.933 104.7 55.1 -61.9 -47.1 16.8 20.7 20.3 169 379 A M T 3< S+ 0 0 0 -4,-2.8 2,-0.8 -5,-0.1 -1,-0.3 -0.351 71.4 146.3 -88.8 57.8 18.7 20.9 17.1 170 380 A S X - 0 0 0 -2,-1.3 3,-1.3 -3,-0.6 13,-0.1 -0.823 31.5-166.9 -97.8 107.6 15.9 21.8 14.7 171 381 A S T 3 S+ 0 0 18 -2,-0.8 5,-0.1 1,-0.2 -1,-0.1 0.534 77.8 74.7 -71.1 -5.4 17.1 24.1 12.0 172 382 A D T 3 + 0 0 118 2,-0.1 -1,-0.2 3,-0.1 3,-0.1 0.487 62.4 120.3 -87.6 -1.6 13.5 25.0 10.9 173 383 A R S X S- 0 0 35 -3,-1.3 3,-1.3 1,-0.1 2,-0.1 -0.401 76.7-100.6 -62.2 136.4 12.7 27.2 13.9 174 384 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.358 100.6 17.7 -61.9 131.1 11.9 30.7 12.5 175 385 A G T 3 S+ 0 0 69 1,-0.2 -82,-0.1 -2,-0.1 -2,-0.1 0.422 80.3 153.9 92.7 -2.0 14.7 33.3 12.7 176 386 A L < - 0 0 20 -3,-1.3 -1,-0.2 -5,-0.1 3,-0.2 -0.285 28.1-165.2 -63.4 145.8 17.7 31.0 13.2 177 387 A A S S+ 0 0 77 1,-0.2 2,-1.2 -90,-0.1 3,-0.3 0.885 82.2 48.1 -95.0 -52.7 21.1 32.3 12.0 178 388 A C > + 0 0 30 1,-0.2 4,-2.6 2,-0.1 5,-0.2 -0.370 65.0 149.3 -90.3 57.6 23.2 29.2 12.0 179 389 A V H > S+ 0 0 61 -2,-1.2 4,-2.4 -3,-0.2 -1,-0.2 0.917 72.2 47.4 -54.4 -49.9 20.8 26.9 10.1 180 390 A E H > S+ 0 0 172 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.939 113.0 47.5 -59.1 -50.9 23.6 24.9 8.4 181 391 A R H > S+ 0 0 78 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.906 113.4 48.4 -57.9 -44.9 25.5 24.3 11.6 182 392 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.887 111.5 49.2 -65.4 -39.1 22.4 23.3 13.5 183 393 A E H X S+ 0 0 91 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.911 108.8 53.2 -67.3 -41.1 21.3 20.9 10.8 184 394 A K H X S+ 0 0 48 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.879 109.3 49.7 -60.9 -38.6 24.7 19.3 10.8 185 395 A Y H X S+ 0 0 36 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.917 110.6 49.3 -66.4 -43.2 24.5 18.8 14.5 186 396 A Q H X S+ 0 0 26 -4,-2.2 4,-3.5 -17,-0.2 -2,-0.2 0.911 109.0 52.5 -62.3 -43.2 21.1 17.2 14.2 187 397 A D H X S+ 0 0 87 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.895 108.5 51.0 -59.6 -40.6 22.4 14.9 11.5 188 398 A S H X S+ 0 0 54 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.883 113.9 44.5 -63.5 -40.4 25.2 13.8 13.7 189 399 A F H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.943 113.0 50.6 -68.4 -48.1 22.7 13.1 16.5 190 400 A L H X S+ 0 0 41 -4,-3.5 4,-2.7 1,-0.2 -2,-0.2 0.911 113.0 46.4 -55.4 -45.9 20.3 11.3 14.2 191 401 A L H X S+ 0 0 81 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.926 113.6 46.9 -64.6 -47.2 23.1 9.1 12.8 192 402 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.874 113.0 52.4 -61.8 -36.2 24.5 8.3 16.2 193 403 A F H X S+ 0 0 3 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.950 107.9 48.7 -64.4 -52.2 20.9 7.6 17.3 194 404 A E H X S+ 0 0 74 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.883 113.2 48.9 -56.4 -40.4 20.2 5.2 14.5 195 405 A H H X S+ 0 0 20 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.843 107.8 52.9 -69.7 -34.9 23.4 3.3 15.2 196 406 A Y H X S+ 0 0 20 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.888 108.1 53.7 -66.8 -35.8 22.7 3.1 18.9 197 407 A I H X>S+ 0 0 9 -4,-2.2 4,-1.6 2,-0.2 5,-0.5 0.932 107.5 48.0 -62.1 -49.4 19.3 1.6 17.9 198 408 A N H <5S+ 0 0 32 -4,-2.0 3,-0.3 -196,-0.3 -1,-0.2 0.916 111.8 51.5 -57.8 -43.7 21.0 -1.1 15.7 199 409 A Y H <5S+ 0 0 106 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.899 107.5 53.3 -59.2 -42.0 23.3 -1.8 18.7 200 410 A R H <5S- 0 0 70 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.801 92.0-150.7 -64.7 -32.7 20.3 -2.2 21.0 201 411 A K T <5 - 0 0 149 -4,-1.6 -3,-0.1 -3,-0.3 -2,-0.1 0.952 13.4-159.3 58.5 56.2 18.6 -4.8 18.8 202 412 A H < - 0 0 40 -5,-0.5 2,-1.8 1,-0.1 5,-0.2 -0.392 20.8-122.0 -65.2 140.2 15.0 -3.9 19.7 203 413 A H S S+ 0 0 194 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.580 81.9 87.3 -86.4 79.6 12.6 -6.8 19.0 204 414 A V S > S- 0 0 62 -2,-1.8 3,-0.8 0, 0.0 2,-0.2 -0.832 77.5-115.7-172.9 131.4 10.3 -4.9 16.7 205 415 A T T 3 S+ 0 0 102 -2,-0.3 5,-0.1 1,-0.2 -2,-0.1 -0.520 96.4 10.4 -77.7 141.9 10.5 -4.4 12.9 206 416 A H T 3> S+ 0 0 139 -2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.885 76.9 155.4 58.9 41.5 11.0 -0.8 11.6 207 417 A F H <> + 0 0 15 -3,-0.8 4,-2.4 2,-0.2 5,-0.2 0.921 69.5 51.5 -63.2 -45.3 11.7 0.4 15.2 208 418 A W H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.952 110.2 47.1 -58.3 -53.6 13.7 3.4 13.9 209 419 A P H > S+ 0 0 67 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.895 114.6 49.4 -56.5 -37.4 11.0 4.5 11.4 210 420 A K H X S+ 0 0 65 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.835 107.2 53.5 -70.6 -33.7 8.5 4.1 14.3 211 421 A L H >X S+ 0 0 1 -4,-2.4 4,-1.3 1,-0.2 3,-1.2 0.928 103.8 57.2 -65.4 -43.8 10.7 6.1 16.7 212 422 A L H 3X S+ 0 0 63 -4,-2.4 4,-1.6 1,-0.3 -1,-0.2 0.770 99.6 59.0 -58.6 -27.0 10.8 9.0 14.1 213 423 A M H 3X S+ 0 0 110 -4,-0.8 4,-1.9 -3,-0.2 -1,-0.3 0.828 101.2 55.0 -72.1 -29.3 7.0 9.1 14.2 214 424 A K H - 0 0 47 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.384 31.2-120.5 -65.9 138.2 -5.0 36.2 35.3 238 448 A T G > S+ 0 0 77 1,-0.3 3,-1.1 2,-0.2 -4,-0.0 0.693 107.0 69.6 -50.9 -24.2 -1.6 37.7 34.6 239 449 A E G 3 S+ 0 0 166 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.703 89.3 60.3 -72.3 -20.4 -0.5 37.0 38.2 240 450 A L G < S+ 0 0 47 -3,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.423 85.6 91.8 -87.5 3.0 -0.5 33.2 37.7 241 451 A F S < S- 0 0 15 -3,-1.1 -1,-0.1 -4,-0.2 -181,-0.0 -0.864 71.2-144.1-102.6 107.8 2.2 33.4 35.0 242 452 A P > - 0 0 31 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.328 23.3-115.0 -65.6 148.0 5.8 33.2 36.3 243 453 A P H > S+ 0 0 113 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.865 116.8 50.7 -53.8 -38.2 8.4 35.4 34.5 244 454 A L H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.933 107.2 53.8 -64.8 -44.7 10.3 32.3 33.2 245 455 A F H > S+ 0 0 6 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.896 113.6 43.2 -55.4 -43.4 7.0 30.8 31.8 246 456 A L H X S+ 0 0 45 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.930 111.4 53.7 -69.9 -46.1 6.4 34.0 29.9 247 457 A E H < S+ 0 0 137 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.881 110.9 45.9 -58.1 -41.3 10.0 34.4 28.7 248 458 A V H < S+ 0 0 15 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.867 125.8 26.8 -73.9 -34.7 10.1 30.9 27.2 249 459 A F H < 0 0 27 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.292 360.0 360.0-112.1 10.4 6.8 30.9 25.4 250 460 A E < 0 0 120 -4,-1.5 -3,-0.1 -3,-0.1 -2,-0.1 0.962 360.0 360.0 -59.1 360.0 6.3 34.7 24.7