==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN/PROTEIN BINDING 06-MAY-03 1P8D . COMPND 2 MOLECULE: OXYSTEROLS RECEPTOR LXR-BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.WILLIAMS,R.K.BLEDSOE,J.L.COLLINS,S.BOGGS,M.H.LAMBERT,A.B.M . 508 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23753.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 392 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 18 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 287 56.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 2 2 1 1 0 0 2 0 0 1 0 1 0 0 1 0 6 0 0 1 2 0 0 0 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 . 2 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 218 A V 0 0 127 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-177.0 28.3 17.4 95.9 2 219 A Q - 0 0 70 187,-0.0 2,-0.2 186,-0.0 184,-0.1 -0.896 360.0 -71.9-145.7 174.8 31.7 18.8 96.9 3 220 A L - 0 0 33 -2,-0.3 2,-0.1 1,-0.1 179,-0.0 -0.475 49.6-120.3 -71.7 139.8 34.6 17.9 99.1 4 221 A T > - 0 0 69 -2,-0.2 4,-3.1 1,-0.1 5,-0.3 -0.501 23.1-115.0 -76.9 152.6 34.1 18.3 102.9 5 222 A A H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.900 120.4 51.7 -54.6 -33.8 36.3 20.8 104.6 6 223 A A H > S+ 0 0 71 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.991 110.3 44.1 -64.3 -63.1 37.6 17.7 106.4 7 224 A Q H > S+ 0 0 32 1,-0.2 4,-3.9 2,-0.2 5,-0.3 0.892 111.8 53.5 -49.5 -48.1 38.3 15.6 103.3 8 225 A E H X S+ 0 0 91 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.967 111.3 46.9 -53.3 -49.2 39.9 18.4 101.5 9 226 A L H X S+ 0 0 107 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.849 113.3 48.8 -61.5 -37.8 42.2 18.9 104.6 10 227 A M H X S+ 0 0 28 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.960 110.6 49.6 -66.3 -51.0 42.9 15.2 104.6 11 228 A I H X S+ 0 0 13 -4,-3.9 4,-2.3 1,-0.2 -2,-0.2 0.868 113.5 46.8 -56.7 -38.5 43.7 15.1 100.8 12 229 A Q H X S+ 0 0 112 -4,-2.5 4,-2.9 -5,-0.3 5,-0.3 0.931 109.3 56.1 -66.7 -44.4 46.0 18.0 101.3 13 230 A Q H X S+ 0 0 93 -4,-2.3 4,-3.3 -5,-0.2 5,-0.3 0.961 111.9 42.3 -46.8 -62.2 47.5 16.2 104.3 14 231 A L H X S+ 0 0 2 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.910 113.2 50.1 -57.0 -49.5 48.3 13.1 102.2 15 232 A V H X S+ 0 0 44 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.886 115.6 44.8 -59.6 -38.5 49.6 15.0 99.2 16 233 A A H >X S+ 0 0 56 -4,-2.9 4,-2.9 2,-0.2 3,-0.7 0.956 111.9 49.6 -69.8 -51.5 51.9 17.0 101.4 17 234 A A H 3X S+ 0 0 16 -4,-3.3 4,-2.3 -5,-0.3 5,-0.2 0.873 110.3 53.9 -53.9 -36.3 53.1 14.1 103.6 18 235 A Q H 3X S+ 0 0 17 -4,-2.6 4,-1.0 -5,-0.3 -1,-0.3 0.828 110.1 47.2 -68.3 -30.3 53.8 12.3 100.3 19 236 A L H X S+ 0 0 39 -4,-1.0 4,-2.9 -5,-0.2 3,-1.6 0.950 109.7 47.0 -65.7 -48.2 59.9 11.9 99.1 23 240 A K H 3X S+ 0 0 113 -4,-2.4 4,-1.9 1,-0.3 -2,-0.2 0.942 109.0 57.2 -57.7 -43.6 62.3 14.8 99.8 24 241 A R H 3< S+ 0 0 121 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.520 117.5 31.0 -69.2 -1.7 63.5 13.1 103.0 25 242 A S H <4 S+ 0 0 26 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.665 130.7 28.0-123.0 -32.7 64.6 10.0 101.1 26 243 A F H < S+ 0 0 36 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.294 84.7 96.7-118.3 10.9 65.6 11.2 97.7 27 244 A S S < S+ 0 0 81 -4,-1.9 2,-0.5 -5,-0.3 -1,-0.1 0.512 84.4 66.1 -74.6 -0.9 66.8 14.7 98.2 28 245 A D S S- 0 0 121 -3,-0.2 -1,-0.1 -5,-0.1 3,-0.1 -0.967 98.4-116.7-125.0 114.3 70.3 13.2 98.3 29 246 A Q - 0 0 140 -2,-0.5 -2,-0.1 1,-0.1 -3,-0.1 -0.263 55.9-108.6 -51.7 94.2 71.7 11.5 95.3 30 247 A P - 0 0 19 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.339 12.6-117.8 -27.6 148.5 71.8 8.1 97.0 31 248 A K + 0 0 108 22,-0.1 2,-0.3 -3,-0.1 -2,-0.1 -0.338 69.0 134.6 -89.6 52.2 74.9 6.3 98.0 32 249 A V - 0 0 21 -2,-1.0 3,-0.1 1,-0.1 18,-0.1 -0.807 67.6 -80.2-113.5 148.4 74.3 3.4 95.7 33 250 A T - 0 0 36 -2,-0.3 -1,-0.1 16,-0.1 2,-0.1 -0.008 58.6-111.4 -34.9 128.6 76.5 1.5 93.3 34 251 A P - 0 0 93 0, 0.0 16,-0.1 0, 0.0 -1,-0.1 -0.392 26.9-104.9 -72.9 146.1 76.8 3.6 90.1 35 252 A W - 0 0 68 -3,-0.1 8,-0.1 -2,-0.1 12,-0.0 -0.522 40.5-138.7 -69.8 125.5 75.2 2.5 86.8 36 253 A P 0 0 25 0, 0.0 -1,-0.1 0, 0.0 7,-0.0 0.269 360.0 360.0 -69.2-156.5 77.9 1.1 84.5 37 254 A L 0 0 198 0, 0.0 6,-0.0 0, 0.0 0, 0.0 -0.976 360.0 360.0 175.5 360.0 78.2 1.8 80.8 38 ! 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 39 259 A Q 0 0 127 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 175.9 80.3 -4.9 79.1 40 260 A S >> - 0 0 79 1,-0.0 4,-1.5 0, 0.0 3,-0.8 -0.982 360.0 -76.5-175.1-177.5 80.9 -7.4 81.9 41 261 A R T 34 S+ 0 0 173 -2,-0.3 4,-0.1 1,-0.2 -1,-0.0 0.336 116.1 66.4 -83.0 6.8 79.9 -9.3 85.0 42 262 A D T 34 S+ 0 0 74 2,-0.1 -1,-0.2 3,-0.1 0, 0.0 0.535 108.2 36.5-102.5 -10.5 80.8 -6.2 87.1 43 263 A A T <> S+ 0 0 5 -3,-0.8 4,-4.7 3,-0.2 5,-0.5 0.690 113.2 56.0-106.0 -33.8 78.0 -4.2 85.6 44 264 A R T < S+ 0 0 117 -4,-1.5 4,-0.4 1,-0.3 -3,-0.2 0.748 119.2 36.1 -69.5 -20.3 75.6 -7.1 85.4 45 265 A Q T 4 S+ 0 0 58 -5,-0.1 4,-0.3 2,-0.1 -1,-0.3 0.490 121.8 46.3-107.3 -8.9 76.2 -7.4 89.1 46 266 A Q T > S+ 0 0 59 2,-0.2 4,-3.2 3,-0.1 -2,-0.2 0.824 108.8 53.2 -95.3 -47.7 76.4 -3.7 89.7 47 267 A R H X S+ 0 0 31 -4,-4.7 4,-1.9 1,-0.3 5,-0.2 0.947 110.8 48.9 -52.8 -48.6 73.4 -2.8 87.7 48 268 A F H > S+ 0 0 14 -5,-0.5 4,-2.4 -4,-0.4 -1,-0.3 0.860 111.1 48.8 -59.6 -36.6 71.4 -5.2 89.7 49 269 A A H > S+ 0 0 17 -4,-0.3 4,-3.3 2,-0.2 5,-0.3 0.882 105.8 60.6 -68.6 -36.4 72.9 -3.8 92.9 50 270 A H H X S+ 0 0 5 -4,-3.2 4,-1.5 2,-0.2 -2,-0.2 0.927 111.8 36.3 -55.1 -51.2 72.0 -0.3 91.6 51 271 A F H X S+ 0 0 26 -4,-1.9 4,-3.7 2,-0.2 3,-0.2 0.965 118.1 50.5 -68.4 -52.4 68.2 -1.2 91.5 52 272 A T H X S+ 0 0 16 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.867 112.7 46.5 -53.2 -43.3 68.3 -3.3 94.6 53 273 A E H X S+ 0 0 55 -4,-3.3 4,-1.2 2,-0.2 -1,-0.2 0.816 114.3 48.1 -70.3 -32.1 70.0 -0.6 96.6 54 274 A L H X S+ 0 0 10 -4,-1.5 4,-2.1 -5,-0.3 -2,-0.2 0.929 105.7 57.6 -74.3 -45.4 67.7 2.0 95.3 55 275 A A H X S+ 0 0 21 -4,-3.7 4,-2.5 1,-0.2 -2,-0.2 0.895 100.0 60.3 -50.0 -42.3 64.6 -0.1 96.0 56 276 A I H >X S+ 0 0 36 -4,-1.5 4,-2.2 2,-0.2 3,-0.5 0.969 103.1 49.1 -49.8 -59.9 65.8 -0.2 99.7 57 277 A I H 3X S+ 0 0 23 -4,-1.2 4,-2.0 1,-0.3 -1,-0.2 0.924 108.9 55.7 -46.9 -45.5 65.5 3.6 100.0 58 278 A S H 3X S+ 0 0 22 -4,-2.1 4,-3.2 1,-0.2 -1,-0.3 0.910 104.0 51.9 -55.1 -44.3 62.1 3.2 98.4 59 279 A V H < S+ 0 0 14 -4,-3.0 3,-1.2 1,-0.2 4,-0.5 0.830 107.1 56.1 -74.8 -34.8 54.9 7.7 104.4 66 286 A A H >< S+ 0 0 0 -4,-2.5 3,-0.7 1,-0.3 6,-0.2 0.796 100.2 62.8 -65.3 -26.9 52.5 5.0 105.8 67 287 A K T 3< S+ 0 0 32 -4,-1.4 -1,-0.3 -5,-0.3 6,-0.2 0.655 104.0 48.3 -68.9 -17.6 53.4 6.3 109.2 68 288 A Q T < S+ 0 0 86 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.535 84.4 103.3 -99.3 -11.6 51.8 9.5 108.0 69 289 A V S X S- 0 0 1 -3,-0.7 3,-2.5 -4,-0.5 4,-0.5 -0.655 85.4-111.6 -78.3 111.7 48.6 8.0 106.7 70 290 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.190 101.3 20.7 -45.1 124.4 45.9 8.7 109.3 71 291 A G T > S+ 0 0 9 -4,-0.1 3,-1.3 4,-0.0 4,-0.5 -0.116 95.8 97.9 105.8 -34.2 44.9 5.5 111.0 72 292 A F G X S+ 0 0 0 -3,-2.5 3,-1.6 1,-0.3 -5,-0.1 0.925 82.7 49.4 -55.2 -50.0 48.0 3.5 110.1 73 293 A L G 3 S+ 0 0 86 -4,-0.5 -1,-0.3 1,-0.3 4,-0.1 0.594 98.6 69.2 -69.3 -7.0 49.8 4.0 113.5 74 294 A Q G < S+ 0 0 137 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.659 87.3 80.3 -83.6 -15.4 46.7 3.1 115.4 75 295 A L S < S- 0 0 11 -3,-1.6 2,-0.3 -4,-0.5 -4,-0.0 -0.166 95.3 -85.3 -79.3 179.6 47.0 -0.6 114.3 76 296 A G > - 0 0 21 1,-0.1 4,-2.6 92,-0.0 5,-0.3 -0.653 32.3-115.2 -90.6 148.0 49.3 -3.1 115.9 77 297 A R H > S+ 0 0 72 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.836 116.8 57.6 -47.8 -35.1 52.9 -3.4 114.8 78 298 A E H >> S+ 0 0 73 1,-0.2 4,-2.6 2,-0.2 3,-0.6 0.995 110.4 40.7 -60.3 -61.6 52.1 -6.9 113.6 79 299 A D H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.806 110.2 60.3 -57.9 -27.6 49.4 -5.7 111.2 80 300 A Q H 3X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.3 0.915 109.9 43.1 -67.0 -37.7 51.6 -2.7 110.3 81 301 A I H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.2 3,-0.7 0.940 118.0 43.6 -63.4 -50.8 50.2 -4.6 105.4 84 304 A L H 3X S+ 0 0 0 -4,-2.3 4,-1.4 -5,-0.3 -2,-0.2 0.889 108.3 59.5 -64.9 -39.9 53.5 -2.9 104.6 85 305 A K H 3< S+ 0 0 54 -4,-3.7 4,-0.3 -5,-0.2 -1,-0.2 0.739 111.9 39.3 -64.2 -21.8 55.1 -6.2 103.6 86 306 A A H S+ 0 0 11 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.908 119.7 45.8 -63.8 -37.2 55.9 -4.1 95.5 90 310 A E H X S+ 0 0 1 -4,-0.6 4,-1.6 2,-0.2 -2,-0.2 0.956 114.2 47.0 -68.1 -46.2 52.4 -2.8 94.5 91 311 A I H X S+ 0 0 5 -4,-4.3 4,-2.8 2,-0.2 5,-0.2 0.889 110.0 55.0 -62.3 -39.5 53.1 0.8 95.8 92 312 A M H X S+ 0 0 18 -4,-2.8 4,-3.4 -5,-0.4 5,-0.2 0.964 108.7 47.0 -57.6 -51.6 56.5 0.7 94.1 93 313 A L H X S+ 0 0 7 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.772 108.8 55.8 -62.4 -26.0 54.7 -0.2 90.8 94 314 A L H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.986 113.4 40.4 -67.8 -51.2 52.2 2.6 91.5 95 315 A E H X S+ 0 0 22 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.887 111.9 55.0 -59.6 -44.1 55.1 5.0 91.8 96 316 A T H < S+ 0 0 26 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.912 111.5 47.5 -56.5 -40.5 57.0 3.5 88.8 97 317 A A H >< S+ 0 0 5 -4,-1.8 3,-2.4 -5,-0.2 -2,-0.2 0.968 108.7 50.8 -66.5 -54.1 53.8 4.1 86.8 98 318 A R H 3< S+ 0 0 53 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.784 111.2 51.8 -53.9 -27.2 53.3 7.7 88.0 99 319 A R T 3< S+ 0 0 67 -4,-2.0 9,-2.0 -5,-0.2 2,-0.4 0.202 86.3 120.7 -96.7 13.9 57.0 8.4 87.0 100 320 A Y B < -A 107 0A 25 -3,-2.4 2,-0.5 7,-0.2 7,-0.2 -0.671 51.3-150.4 -87.3 134.2 56.6 7.0 83.5 101 321 A N > - 0 0 47 5,-1.8 4,-1.3 -2,-0.4 5,-0.3 -0.885 3.3-163.3-103.4 122.9 57.2 9.0 80.4 102 322 A H T 4 S+ 0 0 108 -2,-0.5 -1,-0.1 2,-0.2 36,-0.0 0.923 87.4 49.3 -74.0 -43.2 55.2 8.1 77.3 103 323 A E T 4 S+ 0 0 158 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.907 125.7 28.8 -63.1 -40.3 57.2 9.8 74.7 104 324 A T T 4 S- 0 0 71 2,-0.2 -1,-0.2 12,-0.0 -2,-0.2 0.553 93.1-140.9 -97.7 -8.2 60.5 8.3 75.9 105 325 A E < + 0 0 101 -4,-1.3 2,-0.3 1,-0.2 12,-0.2 0.666 59.6 128.2 54.5 22.3 59.0 5.1 77.4 106 326 A C - 0 0 23 -5,-0.3 -5,-1.8 10,-0.1 2,-0.7 -0.824 58.2-135.4-110.5 146.2 61.5 5.5 80.3 107 327 A I E -AB 100 115A 0 8,-3.2 8,-2.6 -2,-0.3 2,-0.8 -0.866 18.6-158.7-100.1 119.9 60.8 5.4 84.0 108 328 A T E - B 0 114A 47 -9,-2.0 6,-0.3 -2,-0.7 3,-0.0 -0.850 12.8-178.2-105.8 107.9 62.6 8.1 85.7 109 329 A F E S- 0 0 56 4,-1.6 2,-0.2 -2,-0.8 -1,-0.2 0.944 70.1 -8.0 -63.1 -51.9 63.1 7.5 89.4 110 330 A L E > S- B 0 113A 28 3,-1.1 3,-1.0 -11,-0.0 2,-0.3 -0.591 96.4 -65.1-132.3-171.4 64.9 10.8 90.3 111 331 A K T 3 S+ 0 0 166 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 -0.682 128.7 9.5 -83.4 145.8 66.3 13.7 88.5 112 332 A D T 3 S+ 0 0 114 -2,-0.3 -1,-0.3 1,-0.1 2,-0.0 0.823 111.5 99.9 43.5 44.7 69.2 12.4 86.4 113 333 A F E < +B 110 0A 26 -3,-1.0 -4,-1.6 2,-0.0 -3,-1.1 -0.535 47.7 148.2-149.8 71.7 68.1 8.8 87.3 114 334 A T E -B 108 0A 67 -6,-0.3 2,-0.4 -5,-0.2 -6,-0.3 -0.830 24.1-165.5-116.4 148.1 66.1 7.3 84.4 115 335 A Y E -B 107 0A 10 -8,-2.6 -8,-3.2 -2,-0.3 2,-0.1 -0.993 6.5-153.3-139.4 140.9 65.7 3.7 83.0 116 336 A S > - 0 0 27 -2,-0.4 4,-1.2 -10,-0.2 -10,-0.1 -0.286 41.9 -96.4 -92.7-178.0 64.4 2.2 79.8 117 337 A K H >> S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 3,-0.7 0.952 127.7 51.6 -68.4 -45.1 62.9 -1.3 79.5 118 338 A D H 3> S+ 0 0 67 1,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.779 100.8 62.3 -64.0 -22.0 66.3 -2.6 78.4 119 339 A D H 3> S+ 0 0 24 2,-0.2 4,-3.2 1,-0.2 -1,-0.3 0.917 104.6 48.8 -66.3 -37.9 67.9 -1.0 81.4 120 340 A F H <<>S+ 0 0 13 -4,-1.2 5,-1.6 -3,-0.7 4,-0.3 0.865 111.7 48.3 -65.5 -41.4 65.6 -3.4 83.5 121 341 A H H ><5S+ 0 0 112 -4,-1.8 3,-2.0 1,-0.2 -2,-0.2 0.966 114.3 45.3 -65.2 -48.7 66.7 -6.3 81.4 122 342 A R H 3<5S+ 0 0 97 -4,-3.0 -2,-0.2 1,-0.3 -74,-0.2 0.924 104.0 64.7 -57.1 -45.2 70.3 -5.3 81.8 123 343 A A T 3<5S- 0 0 1 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.554 126.3 -98.8 -56.8 -9.3 69.7 -4.8 85.4 124 344 A G T < 5S+ 0 0 18 -3,-2.0 -3,-0.2 1,-0.3 -1,-0.1 0.173 78.1 135.1 113.6 -18.9 68.9 -8.5 85.7 125 345 A L < - 0 0 28 -5,-1.6 -1,-0.3 1,-0.1 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49.7 -64.2 -58.7 46.5 4.9 100.9 156 376 A I H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.872 111.2 53.3 -44.5 -39.3 43.6 2.7 99.8 157 377 A N H >< S+ 0 0 0 -4,-1.5 3,-0.6 1,-0.2 -1,-0.2 0.902 102.0 55.4 -65.3 -44.4 46.2 0.1 98.8 158 378 A I H << S+ 0 0 0 -4,-2.1 2,-0.9 -3,-0.6 -1,-0.2 0.847 103.0 58.9 -57.9 -38.3 48.0 -0.0 102.2 159 379 A F T 3< + 0 0 0 -4,-1.6 2,-0.9 -5,-0.1 -1,-0.3 -0.323 67.6 145.5 -91.1 52.0 44.7 -0.8 104.0 160 380 A S X - 0 0 10 -2,-0.9 3,-1.6 -3,-0.6 13,-0.1 -0.793 34.1-162.0 -91.3 107.6 43.9 -4.0 102.2 161 381 A A T 3 S+ 0 0 19 -2,-0.9 5,-0.2 1,-0.3 -1,-0.2 0.852 84.7 60.8 -56.8 -37.6 42.2 -6.3 104.8 162 382 A D T 3 S+ 0 0 69 -3,-0.1 -1,-0.3 7,-0.1 3,-0.1 0.441 73.6 124.6 -73.4 1.4 42.8 -9.5 102.8 163 383 A R S X S- 0 0 10 -3,-1.6 3,-1.3 1,-0.1 -80,-0.1 -0.346 78.3 -83.1 -62.0 144.8 46.5 -9.1 102.9 164 384 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -78,-0.1 -0.093 106.5 6.6 -49.4 140.6 48.1 -12.3 104.3 165 385 A N T 3 S+ 0 0 109 1,-0.2 2,-0.2 -3,-0.1 -83,-0.2 0.608 77.8 161.8 64.4 16.5 48.3 -12.6 108.2 166 386 A V < - 0 0 22 -3,-1.3 -1,-0.2 -5,-0.2 -87,-0.0 -0.483 24.6-162.9 -68.4 134.5 46.3 -9.5 109.0 167 387 A Q S S+ 0 0 123 1,-0.2 3,-0.2 -2,-0.2 -1,-0.2 0.909 85.7 30.3 -81.6 -46.1 45.1 -9.8 112.6 168 388 A E > + 0 0 65 1,-0.2 4,-3.2 -92,-0.1 3,-0.3 -0.548 68.5 153.8-114.6 66.6 42.4 -7.1 112.5 169 389 A P H > S+ 0 0 53 0, 0.0 4,-3.9 0, 0.0 5,-0.4 0.977 76.9 53.9 -55.7 -59.4 41.1 -7.2 108.9 170 390 A G H > S+ 0 0 49 1,-0.3 4,-1.3 2,-0.2 -2,-0.1 0.788 113.7 45.6 -45.1 -30.3 37.7 -5.9 109.7 171 391 A R H > S+ 0 0 98 -3,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.918 111.0 49.9 -80.3 -47.0 39.6 -3.1 111.4 172 392 A V H X S+ 0 0 0 -4,-3.2 4,-1.0 1,-0.2 -2,-0.2 0.938 111.8 51.2 -55.9 -43.4 42.0 -2.7 108.4 173 393 A E H >X S+ 0 0 45 -4,-3.9 4,-1.6 1,-0.2 3,-0.7 0.904 106.0 52.8 -62.2 -40.6 38.9 -2.5 106.2 174 394 A A H 3< S+ 0 0 63 -4,-1.3 -1,-0.2 -5,-0.4 -2,-0.2 0.927 107.2 54.5 -60.8 -41.7 37.3 0.1 108.3 175 395 A L H 3< S+ 0 0 29 -4,-2.3 4,-0.4 1,-0.2 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0.937 109.0 46.0 -68.2 -43.3 36.5 5.7 89.3 199 419 A P H > S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 -2,-0.2 0.830 105.9 59.6 -68.4 -28.3 36.0 2.0 88.8 200 420 A R H X S+ 0 0 55 -4,-1.6 4,-0.6 2,-0.2 -2,-0.2 0.884 107.1 50.4 -64.2 -33.4 38.7 2.0 86.1 201 421 A M H >X S+ 0 0 0 -4,-1.2 3,-2.6 -3,-0.2 4,-0.5 0.986 108.5 46.0 -66.7 -61.6 40.9 3.2 88.9 202 422 A L H >X S+ 0 0 2 -4,-2.0 3,-2.9 1,-0.3 4,-0.8 0.909 102.8 69.8 -48.5 -43.0 40.0 0.5 91.5 203 423 A M H >X S+ 0 0 26 -4,-2.6 4,-1.4 1,-0.3 3,-1.0 0.799 87.2 64.7 -44.0 -34.8 40.5 -1.9 88.7 204 424 A K H < S+ 0 0 18 -4,-1.3 3,-1.2 -5,-0.2 4,-0.4 0.724 108.1 62.0 -79.6 -23.8 63.9 -17.0 89.8 222 442 A L H ><>S+ 0 0 11 -4,-0.9 3,-1.7 1,-0.3 5,-0.8 0.933 101.3 51.3 -65.0 -46.6 66.3 -14.5 91.2 223 443 A R T 3<5S+ 0 0 130 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.1 -0.006 98.8 67.2 -81.6 26.1 67.3 -16.8 93.9 224 444 A L T < 5S+ 0 0 126 -3,-1.2 -1,-0.3 3,-0.1 -2,-0.2 0.381 102.7 51.7-115.6 -15.4 67.9 -19.4 91.2 225 445 A Q T < 5S- 0 0 101 -3,-1.7 -3,-0.0 -4,-0.4 0, 0.0 -0.189 110.7 -92.2 -97.4-161.8 70.8 -17.3 89.9 226 446 A D T 5S+ 0 0 144 -2,-0.1 2,-0.8 2,-0.0 -3,-0.1 0.224 91.8 115.4 -98.8 13.0 73.6 -16.0 92.0 227 447 A K < - 0 0 2 -5,-0.8 2,-0.4 -103,-0.1 -2,-0.3 -0.741 44.7-178.3 -88.9 110.5 71.6 -12.8 92.5 228 448 A K - 0 0 97 -2,-0.8 -2,-0.0 -5,-0.1 -5,-0.0 -0.885 25.9-119.9-112.1 142.8 70.6 -12.4 96.2 229 449 A L - 0 0 15 -2,-0.4 -180,-0.0 1,-0.1 5,-0.0 -0.579 34.3-107.4 -78.7 130.9 68.5 -9.6 97.7 230 450 A P >> - 0 0 33 0, 0.0 4,-2.5 0, 0.0 3,-0.8 -0.290 46.5 -92.5 -55.4 151.3 70.1 -7.4 100.3 231 451 A P H 3> S+ 0 0 94 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.739 121.4 51.9 -30.1 -59.0 68.7 -8.2 103.8 232 452 A L H 3> S+ 0 0 7 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.929 117.2 38.2 -53.2 -51.4 65.9 -5.6 104.0 233 453 A L H <> S+ 0 0 2 -3,-0.8 4,-2.6 1,-0.2 5,-0.5 0.948 112.5 57.7 -63.7 -50.9 64.3 -6.7 100.6 234 454 A S H X S+ 0 0 28 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.771 103.7 55.4 -49.9 -29.3 65.0 -10.3 101.3 235 455 A E H < S+ 0 0 19 -4,-1.7 -1,-0.2 -3,-0.3 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