==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE/GROWTH FACTOR RECEPTOR 20-JAN-03 1NQ0 . COMPND 2 MOLECULE: THYROID HORMONE RECEPTOR BETA-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.R.HUBER,M.DESCLOZEAUX,B.L.WEST,S.T.CUNHA-LIMA,H.T.NGUYEN, . 253 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12519.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 76.7 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 . 7 2.8 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 . 8 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 55.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 2 1 0 1 0 0 1 2 0 0 0 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 . 0 1 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 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 1 199 A A 0 0 107 0, 0.0 3,-0.3 0, 0.0 16,-0.0 0.000 360.0 360.0 360.0 -45.2 30.4 22.0 87.7 2 200 A A + 0 0 101 1,-0.2 2,-0.2 2,-0.1 4,-0.2 0.575 360.0 61.2 -92.0 -12.3 27.8 20.3 85.5 3 201 A M + 0 0 112 1,-0.1 4,-0.3 2,-0.1 -1,-0.2 -0.383 68.5 113.5-112.4 55.8 30.2 19.5 82.7 4 202 A E S > S+ 0 0 21 -3,-0.3 4,-2.2 -2,-0.2 3,-0.4 0.960 77.1 38.0 -86.0 -69.4 32.6 17.2 84.5 5 203 A E H > S+ 0 0 144 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.906 119.9 48.1 -48.8 -52.1 32.2 13.8 83.0 6 204 A L H > S+ 0 0 104 1,-0.2 4,-1.0 -4,-0.2 -1,-0.3 0.844 110.2 52.8 -60.5 -35.1 31.8 15.2 79.5 7 205 A Q H >>S+ 0 0 51 -3,-0.4 5,-1.9 -4,-0.3 4,-1.0 0.877 112.7 44.3 -68.7 -37.8 34.8 17.4 79.9 8 206 A K H ><5S+ 0 0 73 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.952 106.9 58.3 -70.6 -50.1 37.0 14.5 80.9 9 207 A S H 3<5S+ 0 0 93 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.742 105.2 52.3 -52.3 -27.7 35.7 12.1 78.2 10 208 A I H 3<5S- 0 0 136 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.849 122.3-107.2 -77.8 -35.4 36.8 14.7 75.6 11 209 A G T <<5S+ 0 0 60 -4,-1.0 2,-0.3 -3,-0.8 -3,-0.2 0.479 73.6 132.2 120.7 8.4 40.3 14.8 77.1 12 210 A H < - 0 0 102 -5,-1.9 -1,-0.4 1,-0.0 -2,-0.1 -0.658 49.5-141.9 -91.3 149.3 40.4 18.2 78.8 13 211 A K - 0 0 127 -2,-0.3 -5,-0.1 188,-0.1 -1,-0.0 -0.855 23.5-137.6-113.6 94.7 41.6 18.6 82.3 14 212 A P - 0 0 5 0, 0.0 187,-0.3 0, 0.0 188,-0.2 -0.232 15.2-149.3 -53.5 128.9 39.3 21.2 84.0 15 213 A E - 0 0 83 1,-0.2 184,-0.2 186,-0.1 183,-0.1 -0.391 42.2 -56.0 -92.1 174.9 41.1 23.7 86.1 16 214 A P - 0 0 12 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.242 50.1-137.2 -56.5 132.6 39.6 25.5 89.2 17 215 A T > - 0 0 51 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.349 33.9 -99.0 -78.9 170.8 36.3 27.4 88.7 18 216 A D H > S+ 0 0 142 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.842 125.6 52.0 -62.0 -34.6 36.0 30.8 90.4 19 217 A E H > S+ 0 0 158 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.906 112.5 45.8 -67.8 -41.1 34.1 29.3 93.3 20 218 A E H > S+ 0 0 21 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.847 106.6 57.5 -71.0 -35.3 36.8 26.6 93.8 21 219 A W H X S+ 0 0 86 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.905 108.2 49.0 -61.6 -37.2 39.6 29.2 93.5 22 220 A E H X S+ 0 0 130 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.922 111.5 48.0 -66.5 -44.2 38.0 30.9 96.4 23 221 A L H X S+ 0 0 28 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.894 110.2 53.6 -62.0 -40.5 37.7 27.7 98.4 24 222 A I H X S+ 0 0 4 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.862 106.9 51.0 -62.5 -39.8 41.4 26.9 97.6 25 223 A K H X S+ 0 0 136 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.904 109.6 50.5 -65.7 -42.8 42.5 30.3 99.0 26 224 A T H X S+ 0 0 33 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.943 115.2 41.3 -61.7 -50.0 40.6 29.7 102.2 27 225 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.893 114.8 50.8 -67.2 -41.5 42.0 26.3 102.9 28 226 A T H X S+ 0 0 24 -4,-2.5 4,-3.2 -5,-0.2 5,-0.2 0.953 112.8 45.8 -62.0 -47.6 45.6 27.2 101.8 29 227 A E H X S+ 0 0 53 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.897 109.5 56.5 -60.9 -40.6 45.5 30.3 104.1 30 228 A A H X S+ 0 0 1 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.940 113.7 39.7 -54.6 -49.5 44.1 28.1 106.8 31 229 A H H >X S+ 0 0 2 -4,-2.4 4,-0.8 2,-0.2 3,-0.6 0.967 114.3 51.2 -65.3 -56.5 47.1 25.7 106.5 32 230 A V H >< S+ 0 0 68 -4,-3.2 3,-0.7 1,-0.2 -2,-0.2 0.881 111.5 49.0 -50.5 -43.6 49.8 28.4 106.0 33 231 A A H 3< S+ 0 0 72 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.827 116.7 40.1 -68.1 -32.7 48.6 30.3 109.1 34 232 A T H << S+ 0 0 6 -4,-1.3 2,-0.3 -3,-0.6 -1,-0.2 0.347 111.1 69.5 -99.2 6.9 48.6 27.2 111.3 35 233 A N S << S- 0 0 24 -4,-0.8 3,-0.1 -3,-0.7 90,-0.0 -0.831 92.0 -84.7-124.4 161.9 51.8 25.7 110.0 36 234 A T - 0 0 39 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.244 59.1 -86.3 -61.9 149.2 55.5 26.5 110.1 37 235 A Q >> - 0 0 49 1,-0.1 3,-1.1 2,-0.1 4,-0.7 -0.356 54.3-102.6 -59.9 131.1 56.8 29.0 107.5 38 236 A G T 34 S+ 0 0 46 1,-0.3 -1,-0.1 2,-0.2 -6,-0.0 -0.264 100.3 5.0 -59.6 137.2 57.7 27.2 104.3 39 237 A S T 34 S+ 0 0 88 1,-0.1 -1,-0.3 -3,-0.1 4,-0.1 0.860 110.0 95.7 58.0 37.3 61.4 26.5 103.7 40 238 A H T X> + 0 0 97 -3,-1.1 4,-2.1 2,-0.1 3,-0.8 0.633 63.8 65.4-123.7 -34.8 62.2 27.9 107.2 41 239 A W H 3X S+ 0 0 29 -4,-0.7 4,-1.7 1,-0.2 -3,-0.1 0.718 91.4 74.3 -63.2 -19.6 62.4 24.9 109.5 42 240 A K H 34 S+ 0 0 80 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.919 109.2 24.8 -61.6 -45.5 65.4 24.0 107.3 43 241 A Q H <4 S+ 0 0 150 -3,-0.8 -2,-0.2 1,-0.1 -1,-0.2 0.775 126.8 49.0 -90.1 -27.9 67.6 26.7 109.0 44 242 A K H < S+ 0 0 153 -4,-2.1 -2,-0.2 81,-0.1 -3,-0.2 0.530 85.4 112.5 -90.0 -6.8 65.8 26.9 112.3 45 243 A R < - 0 0 46 -4,-1.7 2,-0.5 -5,-0.2 82,-0.2 -0.297 54.1-149.0 -69.3 153.1 65.6 23.2 113.0 46 244 A K E -a 127 0A 152 80,-1.1 82,-1.3 -2,-0.0 2,-0.1 -0.969 14.8-131.2-126.4 113.4 67.5 21.7 115.9 47 245 A F E -a 128 0A 104 -2,-0.5 82,-0.2 80,-0.2 3,-0.1 -0.411 26.2-116.9 -65.8 134.0 68.8 18.1 115.6 48 246 A L - 0 0 14 80,-2.6 -1,-0.1 1,-0.1 82,-0.1 -0.549 45.0 -87.5 -73.2 132.6 67.9 15.9 118.6 49 247 A P > - 0 0 61 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.091 31.6-128.9 -43.0 127.1 71.1 14.7 120.4 50 248 A E T 3 S+ 0 0 169 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.639 105.6 64.7 -53.9 -18.9 72.3 11.4 118.8 51 249 A D T > S+ 0 0 92 3,-0.1 3,-0.5 2,-0.1 2,-0.5 0.632 86.1 84.0 -83.1 -14.2 72.4 9.9 122.3 52 250 A I T < S+ 0 0 9 -3,-2.4 85,-0.1 1,-0.2 -4,-0.0 -0.792 98.6 10.5 -94.9 128.3 68.7 10.1 122.7 53 251 A G T 3 0 0 3 -2,-0.5 83,-0.3 1,-0.2 -1,-0.2 0.886 360.0 360.0 77.2 41.7 66.6 7.3 121.3 54 252 A Q < 0 0 154 -3,-0.5 -1,-0.2 82,-0.1 -3,-0.1 -0.441 360.0 360.0 -89.1 360.0 69.4 4.9 120.5 55 ! 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 56 263 A K 0 0 139 0, 0.0 2,-0.6 0, 0.0 82,-0.2 0.000 360.0 360.0 360.0 165.5 60.8 -1.0 125.2 57 264 A V - 0 0 15 181,-0.3 2,-1.5 80,-0.1 80,-0.2 -0.888 360.0-128.2-106.8 121.5 60.1 2.7 124.9 58 265 A D >> - 0 0 46 78,-2.6 4,-2.5 -2,-0.6 3,-0.6 -0.509 23.6-164.9 -67.0 91.4 63.0 5.2 125.2 59 266 A L H 3> S+ 0 0 74 -2,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.792 83.0 58.1 -49.9 -34.9 61.3 7.4 127.8 60 267 A E H 3> S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.936 111.1 40.2 -64.6 -46.6 63.8 10.2 127.3 61 268 A A H <> S+ 0 0 0 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.895 115.0 53.3 -67.3 -40.2 63.0 10.5 123.6 62 269 A F H X S+ 0 0 5 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.888 106.8 53.8 -59.6 -40.7 59.3 10.0 124.4 63 270 A S H X S+ 0 0 62 -4,-2.6 4,-1.3 -5,-0.2 -2,-0.2 0.967 107.1 49.6 -58.0 -55.9 59.6 12.9 126.9 64 271 A H H X S+ 0 0 63 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.844 112.9 48.5 -52.2 -39.4 61.1 15.2 124.2 65 272 A F H >< S+ 0 0 20 -4,-2.0 3,-0.7 1,-0.2 4,-0.4 0.917 110.7 46.6 -70.7 -46.3 58.2 14.3 121.8 66 273 A T H 3X S+ 0 0 10 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.659 101.1 69.9 -72.8 -13.2 55.3 14.8 124.2 67 274 A K H 3< S+ 0 0 71 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.869 113.1 27.4 -69.4 -35.6 56.8 18.1 125.3 68 275 A I T S+ 0 0 25 -4,-0.4 4,-2.1 1,-0.2 5,-0.2 0.805 77.5 61.3 -73.8 -30.4 53.0 17.4 121.1 70 277 A T H X S+ 0 0 49 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.927 106.0 44.4 -65.0 -45.9 50.4 19.8 122.6 71 278 A P H > S+ 0 0 37 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.902 110.9 55.5 -65.4 -37.2 51.1 22.7 120.2 72 279 A A H X S+ 0 0 14 -4,-1.2 4,-1.1 1,-0.2 -2,-0.2 0.921 110.7 45.6 -58.5 -46.4 51.3 20.3 117.2 73 280 A I H >X S+ 0 0 1 -4,-2.1 4,-1.5 1,-0.2 3,-0.6 0.924 111.0 51.0 -64.1 -47.0 47.8 19.1 118.1 74 281 A T H 3X S+ 0 0 46 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.858 102.4 61.5 -62.6 -32.5 46.4 22.6 118.7 75 282 A R H 3X S+ 0 0 97 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.892 104.4 50.2 -58.5 -38.2 47.8 23.7 115.3 76 283 A V H < S+ 0 0 0 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.954 110.8 47.1 -58.9 -51.9 43.5 24.7 110.9 80 287 A A H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.2 6,-0.2 0.914 106.4 59.9 -56.5 -44.9 40.1 23.0 111.2 81 288 A K H 3< S+ 0 0 123 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.806 97.4 59.2 -54.5 -34.7 38.6 26.2 112.8 82 289 A K T << S+ 0 0 103 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.304 86.5 89.3 -80.6 10.1 39.5 28.4 109.8 83 290 A L X> - 0 0 2 -3,-2.0 4,-1.7 1,-0.2 3,-1.2 -0.915 66.1-154.4-111.2 110.3 37.3 26.2 107.5 84 291 A P H 3> S+ 0 0 78 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.865 94.5 58.5 -47.6 -44.0 33.7 27.5 107.3 85 292 A M H 34 S+ 0 0 30 1,-0.2 4,-0.4 2,-0.2 103,-0.1 0.870 105.3 50.7 -56.8 -36.1 32.4 24.0 106.4 86 293 A F H X4 S+ 0 0 7 -3,-1.2 3,-1.3 -6,-0.2 -1,-0.2 0.922 108.7 51.7 -67.2 -42.2 33.9 22.7 109.6 87 294 A C H 3< S+ 0 0 73 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.805 98.2 65.2 -64.9 -30.4 32.2 25.4 111.6 88 295 A E T 3< S+ 0 0 130 -4,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.663 90.7 91.9 -66.3 -15.1 28.8 24.6 110.1 89 296 A L S < S- 0 0 7 -3,-1.3 5,-0.0 -4,-0.4 -3,-0.0 -0.471 85.3 -98.4 -85.9 153.6 29.0 21.2 111.8 90 297 A P > - 0 0 43 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 -0.202 33.5-111.0 -63.9 155.8 27.7 20.2 115.3 91 298 A C H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.877 117.3 52.1 -56.2 -44.6 30.1 20.1 118.4 92 299 A E H > S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 111.9 46.0 -60.1 -44.9 29.9 16.3 118.6 93 300 A D H > S+ 0 0 2 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.864 107.6 60.0 -66.7 -35.3 30.9 15.9 115.0 94 301 A Q H X S+ 0 0 41 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.953 109.7 40.4 -52.8 -58.4 33.6 18.6 115.5 95 302 A I H X S+ 0 0 99 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.887 115.0 51.5 -60.6 -45.2 35.4 16.5 118.1 96 303 A I H X S+ 0 0 43 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.948 112.3 46.3 -59.6 -49.6 34.9 13.2 116.3 97 304 A L H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 5,-0.2 0.927 116.1 45.9 -58.8 -46.9 36.3 14.6 113.0 98 305 A L H X S+ 0 0 27 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.907 110.5 50.9 -64.9 -44.8 39.3 16.1 114.9 99 306 A K H < S+ 0 0 65 -4,-3.1 4,-0.4 1,-0.2 -1,-0.2 0.851 112.7 49.9 -62.9 -32.5 40.1 13.1 117.0 100 307 A G H < S+ 0 0 25 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.794 118.9 31.7 -78.1 -29.3 40.1 11.0 113.8 101 308 A C H >X S+ 0 0 0 -4,-1.6 4,-2.7 -3,-0.2 3,-0.7 0.679 89.9 96.2-102.9 -17.5 42.3 13.1 111.6 102 309 A C H 3X S+ 0 0 3 -4,-2.1 4,-2.8 1,-0.3 5,-0.2 0.850 92.1 37.3 -38.7 -60.4 44.7 14.6 114.1 103 310 A M H 3> S+ 0 0 19 -4,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.809 114.6 57.9 -66.5 -28.3 47.5 12.0 113.7 104 311 A E H <> S+ 0 0 7 -3,-0.7 4,-1.7 -4,-0.2 -2,-0.2 0.938 113.1 38.3 -66.2 -46.4 46.9 11.8 109.9 105 312 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.918 114.5 53.5 -71.5 -43.0 47.5 15.5 109.5 106 313 A M H X S+ 0 0 27 -4,-2.8 4,-2.1 -5,-0.3 -2,-0.2 0.912 111.0 48.5 -57.8 -41.2 50.3 15.7 112.0 107 314 A S H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.866 109.2 50.8 -66.6 -40.0 52.1 12.9 110.1 108 315 A L H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.932 110.9 51.1 -63.6 -42.7 51.6 14.5 106.7 109 316 A R H < S+ 0 0 12 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.900 113.9 42.3 -61.9 -41.8 53.1 17.7 108.2 110 317 A A H >< S+ 0 0 12 -4,-2.1 3,-1.0 1,-0.2 12,-0.6 0.901 112.6 56.0 -70.3 -40.9 56.1 15.9 109.5 111 318 A A H >< S+ 0 0 1 -4,-2.8 3,-0.8 1,-0.3 -2,-0.2 0.846 102.1 53.4 -60.8 -39.1 56.4 13.9 106.3 112 319 A V T 3< S+ 0 0 51 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.622 101.6 62.9 -75.0 -9.1 56.6 16.9 104.0 113 320 A R T < S+ 0 0 12 -3,-1.0 9,-0.9 -4,-0.4 2,-0.4 -0.215 76.2 137.4-104.4 40.4 59.5 18.2 106.2 114 321 A Y E < -B 121 0A 31 -3,-0.8 7,-0.2 7,-0.2 -3,-0.1 -0.725 39.6-158.3 -88.7 136.4 61.6 15.2 105.3 115 322 A D E >> -B 120 0A 4 5,-2.9 4,-1.5 -2,-0.4 5,-1.3 -0.916 9.5-167.1-119.2 106.6 65.3 15.9 104.5 116 323 A P T 45S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 35,-0.0 0.747 86.0 62.8 -62.2 -23.7 67.1 13.2 102.4 117 324 A E T 45S+ 0 0 165 1,-0.2 -2,-0.0 3,-0.1 0, 0.0 0.978 121.8 18.6 -64.9 -57.4 70.5 14.8 103.3 118 325 A S T 45S- 0 0 38 -3,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.456 102.1-130.0 -91.3 -4.0 70.3 14.2 107.0 119 326 A E T <5 + 0 0 131 -4,-1.5 12,-0.5 1,-0.2 2,-0.3 0.935 64.4 127.3 52.4 50.9 67.6 11.6 106.6 120 327 A T E < -B 115 0A 3 -5,-1.3 -5,-2.9 10,-0.1 2,-0.3 -0.867 55.1-138.8-133.0 166.8 65.5 13.3 109.2 121 328 A L E -BC 114 129A 0 8,-2.2 8,-2.9 -2,-0.3 2,-0.7 -0.899 21.9-134.0-118.8 149.2 62.0 14.7 109.7 122 329 A T E > - C 0 128A 0 -9,-0.9 3,-1.3 -12,-0.6 2,-0.4 -0.898 13.3-147.8-113.8 108.0 61.4 17.9 111.5 123 330 A L E >> S- C 0 127A 25 4,-2.7 3,-2.1 -2,-0.7 4,-1.9 -0.575 85.7 -8.6 -72.8 123.3 58.7 17.8 114.1 124 331 A N T 34 S- 0 0 31 -2,-0.4 -1,-0.3 1,-0.3 4,-0.1 0.658 115.1 -83.1 64.0 14.0 56.9 21.2 114.3 125 332 A G T <4 S+ 0 0 4 -3,-1.3 -1,-0.3 2,-0.2 -2,-0.1 0.688 128.0 79.3 63.2 15.9 59.7 22.5 112.1 126 333 A E T <4 S+ 0 0 86 -3,-2.1 -80,-1.1 1,-0.2 2,-0.5 0.562 82.1 54.0-125.8 -20.7 61.8 22.8 115.3 127 334 A M E < -aC 46 123A 22 -4,-1.9 -4,-2.7 -82,-0.2 2,-0.5 -0.883 63.7-156.9-127.4 104.5 63.0 19.3 116.1 128 335 A A E +aC 47 122A 1 -82,-1.3 -80,-2.6 -2,-0.5 2,-0.3 -0.646 23.8 175.0 -78.9 120.5 65.0 17.2 113.6 129 336 A V E - C 0 121A 0 -8,-2.9 -8,-2.2 -2,-0.5 2,-0.2 -0.875 22.7-130.0-126.3 158.4 64.7 13.5 114.4 130 337 A T > - 0 0 52 -2,-0.3 4,-2.5 -10,-0.2 5,-0.3 -0.545 31.8-103.9-100.9 170.1 65.8 10.2 112.7 131 338 A R H > S+ 0 0 76 -12,-0.5 4,-2.9 1,-0.2 5,-0.2 0.951 122.2 46.7 -55.8 -53.1 63.9 7.1 111.9 132 339 A G H > S+ 0 0 34 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.897 111.7 51.0 -58.7 -42.3 65.4 5.2 114.9 133 340 A Q H > S+ 0 0 14 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.929 114.7 41.4 -63.7 -45.0 64.9 8.1 117.3 134 341 A L H <>S+ 0 0 9 -4,-2.5 5,-1.7 2,-0.2 6,-0.3 0.883 115.6 52.4 -69.4 -37.7 61.2 8.4 116.4 135 342 A K H ><>S+ 0 0 84 -4,-2.9 5,-2.1 -5,-0.3 3,-1.0 0.939 114.3 40.3 -63.2 -48.4 60.8 4.6 116.4 136 343 A N H 3<5S+ 0 0 56 -4,-2.9 -78,-2.6 -83,-0.3 -1,-0.2 0.728 103.3 71.1 -73.7 -21.9 62.3 4.1 119.8 137 344 A G T 3<5S- 0 0 1 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.400 131.0 -75.0 -75.9 2.6 60.6 7.2 121.2 138 345 A G T < 5S+ 0 0 1 -3,-1.0 -3,-0.2 -82,-0.2 -2,-0.1 0.195 111.5 93.0 129.2 -18.6 57.3 5.3 121.1 139 346 A L T > < + 0 0 20 -5,-1.7 3,-2.3 1,-0.2 -4,-0.2 0.715 53.8 179.1 -82.4 -18.4 56.1 5.2 117.5 140 347 A G T >> S+ 0 0 82 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.629 123.9 75.9 -58.6 -13.7 56.7 0.9 112.9 142 349 A V H <> S+ 0 0 0 -3,-2.3 4,-2.6 1,-0.2 -1,-0.3 0.901 91.7 54.9 -65.9 -36.1 54.6 4.1 112.7 143 350 A S H <> S+ 0 0 0 -3,-1.9 4,-2.9 1,-0.2 5,-0.3 0.923 106.0 51.4 -59.2 -44.5 57.9 5.9 112.4 144 351 A D H X S+ 0 0 34 -4,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.911 109.9 49.7 -57.9 -44.7 58.9 3.6 109.4 145 352 A A H X S+ 0 0 37 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.912 112.4 46.1 -62.7 -45.7 55.6 4.4 107.7 146 353 A I H X S+ 0 0 4 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.947 114.4 46.8 -66.1 -47.1 56.0 8.2 108.1 147 354 A F H X S+ 0 0 4 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.908 112.4 50.7 -61.6 -39.7 59.6 8.2 107.0 148 355 A D H X S+ 0 0 86 -4,-2.5 4,-1.7 -5,-0.3 -1,-0.2 0.905 110.9 49.7 -63.8 -38.5 58.7 6.0 104.0 149 356 A L H X S+ 0 0 7 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.949 109.7 51.4 -62.4 -47.8 55.9 8.4 103.2 150 357 A G H X S+ 0 0 1 -4,-3.0 4,-0.7 1,-0.2 -2,-0.2 0.880 108.2 49.8 -56.8 -43.8 58.3 11.4 103.4 151 358 A M H < S+ 0 0 72 -4,-2.4 3,-0.5 1,-0.2 4,-0.4 0.873 113.2 48.6 -64.2 -35.8 60.8 9.8 101.1 152 359 A S H >< S+ 0 0 42 -4,-1.7 3,-0.8 -5,-0.2 4,-0.5 0.852 103.4 59.0 -72.2 -35.9 58.0 9.2 98.6 153 360 A L H 3X S+ 0 0 10 -4,-2.3 4,-0.8 1,-0.2 5,-0.5 0.652 85.4 81.2 -69.9 -15.0 56.5 12.7 98.8 154 361 A S T >< S+ 0 0 57 -4,-0.7 3,-0.8 -3,-0.5 -1,-0.2 0.907 92.8 47.5 -56.1 -44.3 59.8 14.2 97.6 155 362 A S T <4 S+ 0 0 81 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.731 102.8 63.4 -70.6 -24.1 58.9 13.4 94.0 156 363 A F T 34 S- 0 0 16 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.2 0.714 87.3-153.8 -74.4 -20.5 55.4 14.8 94.3 157 364 A N << - 0 0 110 -4,-0.8 2,-0.2 -3,-0.8 -3,-0.1 0.918 18.9-162.9 44.3 60.4 56.8 18.3 95.0 158 365 A L - 0 0 36 -5,-0.5 2,-0.2 4,-0.1 -1,-0.1 -0.447 6.7-152.6 -76.6 142.2 53.7 19.4 96.9 159 366 A D > - 0 0 36 -2,-0.2 4,-2.3 1,-0.0 5,-0.3 -0.523 38.4 -89.6-103.6 176.6 53.0 23.1 97.6 160 367 A D H > S+ 0 0 69 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.802 126.1 54.2 -57.6 -30.7 51.0 24.6 100.5 161 368 A T H > S+ 0 0 17 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.951 109.2 46.1 -69.2 -47.9 47.8 24.4 98.6 162 369 A E H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.898 114.5 46.8 -62.5 -43.0 48.2 20.6 97.9 163 370 A V H X S+ 0 0 6 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.882 113.7 50.4 -65.8 -37.3 49.1 19.8 101.5 164 371 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.937 110.8 46.9 -66.5 -46.4 46.2 22.0 102.7 165 372 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.890 110.7 53.6 -62.1 -38.3 43.7 20.3 100.4 166 373 A L H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.925 109.3 48.2 -61.3 -46.4 45.0 16.9 101.5 167 374 A Q H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.890 110.4 52.2 -62.4 -40.0 44.5 17.9 105.1 168 375 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.887 108.9 50.1 -65.1 -38.5 41.0 19.1 104.3 169 376 A V H < S+ 0 0 4 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.901 112.2 47.2 -66.5 -39.5 40.2 15.7 102.6 170 377 A L H >< S+ 0 0 0 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.941 111.8 51.9 -66.2 -44.8 41.5 13.9 105.7 171 378 A L H 3< S+ 0 0 0 -4,-2.8 2,-1.9 1,-0.3 -2,-0.2 0.936 103.0 57.3 -56.7 -52.7 39.4 16.2 108.0 172 379 A M T 3< S+ 0 0 0 -4,-2.4 2,-1.0 -5,-0.1 -1,-0.3 -0.294 70.1 149.6 -78.6 55.8 36.1 15.7 106.2 173 380 A S X - 0 0 0 -2,-1.9 3,-1.8 -3,-0.5 13,-0.1 -0.767 27.4-170.8 -95.1 100.1 36.0 11.9 106.6 174 381 A S T 3 S+ 0 0 17 -2,-1.0 -1,-0.2 1,-0.3 12,-0.1 0.612 78.8 69.8 -63.1 -15.3 32.3 10.9 106.8 175 382 A D T 3 + 0 0 111 2,-0.1 -1,-0.3 -3,-0.1 3,-0.1 0.479 66.7 125.2 -83.5 -1.0 33.2 7.3 107.7 176 383 A R S X S- 0 0 30 -3,-1.8 3,-1.3 1,-0.1 2,-0.2 -0.375 72.8-106.7 -58.7 131.6 34.4 8.4 111.1 177 384 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.429 99.0 21.0 -66.6 129.7 32.4 6.4 113.7 178 385 A G T 3 S+ 0 0 64 1,-0.3 -2,-0.1 -2,-0.2 -82,-0.1 0.107 83.0 146.1 103.8 -21.2 29.8 8.2 115.6 179 386 A L < - 0 0 19 -3,-1.3 -1,-0.3 1,-0.1 3,-0.1 -0.033 30.8-167.8 -47.8 152.6 29.3 11.1 113.2 180 387 A A S S+ 0 0 78 1,-0.1 2,-0.9 -90,-0.1 3,-0.2 0.712 79.1 53.2-112.7 -39.4 25.8 12.5 112.9 181 388 A C > + 0 0 30 1,-0.2 4,-1.4 2,-0.1 3,-0.5 -0.444 66.6 149.2 -99.6 61.7 26.0 14.7 109.8 182 389 A V H > + 0 0 59 -2,-0.9 4,-1.4 1,-0.2 -1,-0.2 0.888 64.4 49.8 -58.9 -51.2 27.4 12.0 107.4 183 390 A E H > S+ 0 0 83 -3,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.670 114.7 43.8 -70.3 -17.6 25.9 13.1 104.1 184 391 A R H > S+ 0 0 121 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.708 108.9 56.2 -97.2 -25.6 27.0 16.8 104.4 185 392 A I H X S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.807 110.1 48.7 -71.7 -28.4 30.4 15.9 105.6 186 393 A E H X S+ 0 0 86 -4,-1.4 4,-3.0 2,-0.2 5,-0.2 0.852 106.9 54.0 -77.0 -36.5 30.6 13.9 102.4 187 394 A K H X S+ 0 0 52 -4,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.948 110.0 48.5 -61.5 -46.0 29.4 16.8 100.4 188 395 A Y H X S+ 0 0 37 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.928 112.8 47.2 -59.4 -47.3 32.2 18.9 101.9 189 396 A Q H X S+ 0 0 30 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.946 110.9 50.3 -61.6 -48.7 34.8 16.3 101.1 190 397 A D H X S+ 0 0 83 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.893 109.8 53.2 -56.5 -38.8 33.6 15.8 97.5 191 398 A S H X S+ 0 0 49 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.920 111.5 44.7 -61.1 -45.3 33.8 19.5 97.2 192 399 A F H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.927 111.9 51.7 -65.1 -46.7 37.4 19.5 98.4 193 400 A L H X S+ 0 0 41 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.887 111.5 48.6 -56.7 -41.4 38.4 16.5 96.3 194 401 A L H X S+ 0 0 55 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.866 112.8 44.5 -70.2 -40.3 37.0 18.3 93.2 195 402 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.889 114.6 53.8 -69.7 -35.5 38.7 21.6 93.8 196 403 A F H X S+ 0 0 3 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.946 107.8 46.4 -62.7 -53.1 41.8 19.5 94.6 197 404 A E H X S+ 0 0 27 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.919 114.1 49.9 -56.7 -44.1 41.8 17.5 91.3 198 405 A H H X S+ 0 0 4 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.875 108.1 52.8 -63.4 -36.9 41.2 20.8 89.4 199 406 A Y H X S+ 0 0 19 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.913 107.3 52.6 -64.0 -40.6 44.1 22.4 91.2 200 407 A I H X S+ 0 0 9 -4,-2.3 4,-2.1 2,-0.2 5,-0.4 0.843 106.8 52.4 -61.7 -38.0 46.3 19.5 90.2 201 408 A N H < S+ 0 0 21 -4,-1.8 -1,-0.2 -187,-0.3 -2,-0.2 0.907 110.4 47.9 -65.7 -42.1 45.3 20.0 86.5 202 409 A Y H < S+ 0 0 105 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.902 114.2 47.0 -63.2 -41.5 46.3 23.7 86.8 203 410 A R H < S- 0 0 77 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.808 90.6-162.4 -70.8 -31.7 49.6 22.7 88.4 204 411 A K < - 0 0 133 -4,-2.1 2,-0.2 -5,-0.2 -3,-0.1 0.938 6.6-150.5 41.5 78.8 50.3 20.0 85.8 205 412 A H - 0 0 32 -5,-0.4 2,-2.1 2,-0.1 5,-0.2 -0.547 18.9-124.7 -73.9 137.5 52.9 17.9 87.6 206 413 A H S S+ 0 0 195 -2,-0.2 2,-0.4 2,-0.1 -1,-0.1 -0.257 80.5 109.2 -80.5 52.1 55.3 16.3 85.2 207 414 A V S > S- 0 0 49 -2,-2.1 3,-0.9 -51,-0.1 2,-0.1 -0.998 72.7-117.2-131.8 132.1 54.3 13.0 86.9 208 415 A T T 3 S- 0 0 95 -2,-0.4 5,-0.1 1,-0.2 -2,-0.1 -0.427 92.9 -0.1 -71.5 139.2 52.2 10.2 85.3 209 416 A H T 3> S+ 0 0 135 -2,-0.1 4,-1.9 1,-0.1 -1,-0.2 0.892 80.7 165.5 50.0 46.3 48.9 9.4 87.0 210 417 A F H <> + 0 0 12 -3,-0.9 4,-2.6 1,-0.2 5,-0.2 0.928 65.3 50.7 -58.0 -52.0 49.5 12.0 89.6 211 418 A W H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.937 112.0 45.0 -55.7 -53.4 45.9 12.2 90.9 212 419 A P H > S+ 0 0 60 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.887 113.9 50.5 -60.6 -36.7 45.5 8.5 91.5 213 420 A K H X S+ 0 0 71 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.899 109.8 51.1 -66.2 -40.0 48.9 8.2 93.1 214 421 A L H >X S+ 0 0 1 -4,-2.6 4,-1.1 1,-0.2 3,-0.9 0.919 106.0 54.8 -63.4 -44.4 48.1 11.1 95.4 215 422 A L H >X S+ 0 0 65 -4,-2.5 4,-1.4 1,-0.3 3,-0.5 0.872 100.3 60.2 -57.7 -38.2 44.8 9.4 96.4 216 423 A M H 3X S+ 0 0 113 -4,-1.7 4,-2.1 1,-0.2 -1,-0.3 0.849 99.0 58.6 -58.9 -31.8 46.8 6.4 97.5 217 424 A K H - 0 0 51 0, 0.0 3,-3.8 0, 0.0 4,-0.1 -0.445 31.6-132.4 -61.8 110.0 54.4 6.6 133.1 241 448 A T G > S+ 0 0 105 -2,-0.5 3,-1.2 1,-0.3 -4,-0.0 0.723 103.2 68.8 -33.3 -32.8 50.9 7.9 132.8 242 449 A E G 3 S+ 0 0 157 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.632 85.8 65.5 -69.1 -14.3 52.3 11.3 134.0 243 450 A L G < S+ 0 0 31 -3,-3.8 -1,-0.3 1,-0.1 -2,-0.2 0.146 80.4 97.2 -93.3 19.9 54.3 11.9 130.8 244 451 A F S < S- 0 0 9 -3,-1.2 5,-0.2 -4,-0.1 -1,-0.1 -0.847 74.4-136.0-112.5 97.0 51.0 12.2 128.8 245 452 A P > - 0 0 26 0, 0.0 4,-2.0 0, 0.0 3,-0.5 -0.150 24.6-115.0 -48.6 141.2 49.9 15.8 128.3 246 453 A P H > S+ 0 0 100 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.817 115.0 47.2 -47.9 -42.6 46.2 16.2 129.0 247 454 A L H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.850 108.3 56.7 -71.3 -34.4 45.3 17.2 125.4 248 455 A F H > S+ 0 0 8 -3,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.925 111.9 42.1 -60.2 -45.7 47.4 14.3 124.1 249 456 A L H X S+ 0 0 39 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.884 112.8 54.2 -68.6 -41.4 45.3 11.9 126.2 250 457 A E H < S+ 0 0 134 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.830 110.4 44.6 -61.3 -41.5 42.0 13.6 125.3 251 458 A V H < S+ 0 0 20 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.810 119.2 36.2 -77.0 -33.1 42.5 13.4 121.5 252 459 A F H < S+ 0 0 37 -4,-1.4 2,-0.5 -5,-0.2 -2,-0.2 0.639 109.9 60.3 -99.8 -15.0 43.6 9.8 121.1 253 460 A E < 0 0 63 -4,-1.5 -1,-0.1 -5,-0.2 -154,-0.0 -0.953 360.0 360.0-122.0 133.3 41.7 8.0 123.7 254 461 A D 0 0 206 -2,-0.5 -1,-0.1 -3,-0.0 -4,-0.0 0.863 360.0 360.0 -59.4 360.0 37.9 7.7 124.0