==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 05-AUG-10 3OAP . COMPND 2 MOLECULE: RETINOIC ACID RECEPTOR RXR-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.XIA,C.D.SMITH,D.D.MUCCIO . 225 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11166.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 73.8 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 . 4 1.8 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 . 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 . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 56.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 3 1 1 0 1 1 1 0 0 0 0 0 0 0 0 3 0 1 0 0 0 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 228 A E 0 0 188 0, 0.0 151,-0.1 0, 0.0 148,-0.0 0.000 360.0 360.0 360.0 124.9 48.1 71.4 11.9 2 229 A D + 0 0 98 1,-0.1 150,-0.1 150,-0.1 0, 0.0 0.975 360.0 134.5 78.8 80.9 45.9 68.6 13.2 3 230 A M - 0 0 5 149,-0.1 2,-0.2 150,-0.0 -1,-0.1 -0.456 32.6-172.4-152.2 65.2 47.3 66.7 16.2 4 231 A P >> - 0 0 36 0, 0.0 4,-1.4 0, 0.0 3,-1.4 -0.466 26.8-139.3 -69.1 129.8 44.4 66.4 18.6 5 232 A V H 3> S+ 0 0 15 1,-0.3 4,-2.8 -2,-0.2 5,-0.2 0.744 101.6 70.3 -59.3 -21.9 45.3 65.0 22.1 6 233 A E H 3> S+ 0 0 120 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.890 99.3 45.5 -62.8 -39.3 42.0 63.0 21.8 7 234 A R H <> S+ 0 0 96 -3,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.869 112.7 51.4 -71.0 -36.6 43.6 60.8 19.1 8 235 A I H X S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.913 109.4 49.3 -67.1 -40.5 46.8 60.5 21.2 9 236 A L H X S+ 0 0 48 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.895 109.3 53.4 -64.0 -41.0 44.7 59.4 24.2 10 237 A E H X S+ 0 0 119 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.887 104.6 53.8 -62.1 -39.9 42.9 56.9 22.1 11 238 A A H X S+ 0 0 1 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.932 111.4 47.5 -60.1 -42.9 46.2 55.4 20.9 12 239 A E H X S+ 0 0 11 -4,-1.8 4,-0.8 1,-0.2 3,-0.4 0.927 114.6 43.9 -63.2 -47.7 47.1 54.9 24.6 13 240 A L H < S+ 0 0 93 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.741 109.0 59.5 -71.7 -22.5 43.8 53.4 25.6 14 241 A A H < S+ 0 0 52 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.792 109.9 40.2 -76.3 -28.6 43.7 51.1 22.5 15 242 A V H < S+ 0 0 28 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.536 120.0 38.5 -98.8 -7.8 47.0 49.4 23.4 16 243 A E < 0 0 39 -4,-0.8 -1,-0.2 -5,-0.1 68,-0.0 -0.902 360.0 360.0-150.8 119.5 46.6 49.0 27.1 17 244 A P 0 0 169 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.225 360.0 360.0 -69.0 360.0 43.5 48.2 29.3 18 ! 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 19 262 A N 0 0 193 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -43.6 62.5 33.7 38.3 20 263 A D >> - 0 0 57 1,-0.2 4,-2.0 2,-0.1 3,-0.7 -0.246 360.0-149.6 -47.7 109.1 65.2 36.1 37.1 21 264 A P H 3> S+ 0 0 11 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.837 96.2 60.7 -54.6 -30.8 63.3 39.4 37.1 22 265 A V H 3> S+ 0 0 9 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.910 103.3 48.7 -63.1 -43.0 65.6 40.4 34.2 23 266 A T H <> S+ 0 0 25 -3,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.950 112.2 49.0 -61.6 -47.8 64.3 37.5 32.1 24 267 A N H X S+ 0 0 37 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.873 111.9 49.0 -59.5 -38.8 60.7 38.4 32.9 25 268 A I H X S+ 0 0 46 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.927 110.7 49.7 -68.5 -42.8 61.3 42.1 32.0 26 269 A C H X S+ 0 0 5 -4,-2.7 4,-1.8 1,-0.2 179,-0.2 0.840 110.7 50.8 -65.0 -31.7 63.0 41.1 28.7 27 270 A Q H X S+ 0 0 83 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.902 110.0 49.0 -72.0 -38.8 60.0 38.9 27.9 28 271 A A H X S+ 0 0 7 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.874 110.1 52.7 -65.6 -37.5 57.6 41.7 28.6 29 272 A A H X S+ 0 0 22 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.899 108.1 49.0 -66.1 -41.1 59.6 44.0 26.5 30 273 A D H X S+ 0 0 16 -4,-1.8 4,-0.9 2,-0.2 3,-0.4 0.931 112.9 48.9 -63.7 -44.3 59.5 41.7 23.5 31 274 A K H >X S+ 0 0 95 -4,-2.1 4,-1.0 1,-0.2 3,-0.7 0.916 112.0 48.4 -59.6 -45.8 55.8 41.3 23.9 32 275 A Q H 3X S+ 0 0 26 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.686 96.1 71.6 -72.7 -17.2 55.3 45.1 24.1 33 276 A L H 3X S+ 0 0 1 -4,-1.3 4,-1.2 -3,-0.4 -1,-0.2 0.881 98.7 49.2 -65.7 -35.1 57.4 45.8 21.0 34 277 A F H < S+ 0 0 1 -4,-2.0 3,-1.2 2,-0.2 4,-0.4 0.948 108.9 49.8 -65.9 -49.5 50.4 52.3 19.0 40 283 A A H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.3 6,-0.3 0.892 105.1 58.1 -57.0 -41.7 52.6 54.3 16.7 41 284 A K H 3< S+ 0 0 42 -4,-2.1 6,-0.3 1,-0.3 -1,-0.3 0.742 104.3 53.3 -60.9 -23.9 50.3 53.5 13.8 42 285 A R T << S+ 0 0 138 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.461 85.7 98.5 -90.5 -3.7 47.5 55.1 15.8 43 286 A I S X> S- 0 0 1 -3,-1.9 3,-1.8 -4,-0.4 4,-0.5 -0.770 92.3 -97.1 -86.7 123.5 49.5 58.3 16.3 44 287 A P T 34 S- 0 0 3 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.054 98.8 -2.3 -42.5 130.1 48.4 61.0 13.7 45 288 A H T >4 S+ 0 0 46 -4,-0.1 3,-0.7 1,-0.1 4,-0.4 0.218 97.9 108.7 71.7 -11.4 50.5 61.2 10.6 46 289 A F G X4 S+ 0 0 0 -3,-1.8 3,-1.6 -6,-0.3 -5,-0.1 0.940 79.9 49.0 -59.4 -47.7 53.1 58.6 11.7 47 290 A S G 3< S+ 0 0 62 -4,-0.5 -1,-0.2 -6,-0.3 -6,-0.1 0.637 103.3 63.1 -67.2 -14.6 51.9 56.0 9.1 48 291 A E G < S+ 0 0 146 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.537 84.0 93.3 -87.3 -9.2 52.0 58.7 6.4 49 292 A L S < S- 0 0 4 -3,-1.6 5,-0.1 -4,-0.4 -4,-0.0 -0.490 98.0 -81.9 -78.6 154.7 55.8 59.1 6.8 50 293 A P >> - 0 0 59 0, 0.0 4,-1.7 0, 0.0 3,-1.1 -0.277 41.4-114.9 -58.1 144.9 57.9 56.9 4.5 51 294 A L H 3> S+ 0 0 68 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.830 114.1 55.3 -48.6 -41.9 58.4 53.3 5.7 52 295 A D H 3> S+ 0 0 109 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.827 108.2 48.2 -64.8 -32.6 62.1 53.7 6.3 53 296 A D H <> S+ 0 0 2 -3,-1.1 4,-2.7 2,-0.2 -1,-0.2 0.802 107.9 54.9 -77.5 -29.4 61.6 56.7 8.5 54 297 A Q H X S+ 0 0 13 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.928 110.5 46.7 -65.8 -43.6 58.9 54.9 10.5 55 298 A V H X S+ 0 0 6 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.941 112.4 50.3 -61.4 -48.2 61.5 52.1 11.1 56 299 A I H X S+ 0 0 39 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.925 110.7 48.5 -57.3 -48.9 64.2 54.7 12.0 57 300 A L H X S+ 0 0 1 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.896 114.4 45.2 -60.7 -42.7 61.9 56.5 14.5 58 301 A L H X S+ 0 0 3 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.885 113.0 49.1 -71.1 -37.4 60.8 53.2 16.2 59 302 A R H < S+ 0 0 38 -4,-2.6 4,-0.2 1,-0.2 -1,-0.2 0.831 114.4 47.8 -70.0 -29.6 64.4 51.8 16.4 60 303 A A H < S+ 0 0 44 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.798 125.2 26.5 -80.2 -29.8 65.6 55.1 17.9 61 304 A G H X S+ 0 0 3 -4,-1.7 4,-2.7 -5,-0.2 5,-0.2 0.529 84.5 103.0-115.8 -2.2 62.9 55.4 20.5 62 305 A W H X S+ 0 0 11 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.874 84.3 49.0 -49.6 -48.4 61.5 52.0 21.4 63 306 A N H > S+ 0 0 11 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.938 115.2 42.7 -62.3 -44.8 63.4 51.7 24.8 64 307 A E H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.883 114.0 53.7 -66.7 -36.7 62.3 55.1 26.0 65 308 A L H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.895 112.7 42.1 -63.8 -41.8 58.8 54.5 24.7 66 309 A L H X S+ 0 0 19 -4,-2.5 4,-2.3 -5,-0.2 5,-0.3 0.874 113.3 52.8 -74.1 -37.2 58.4 51.2 26.6 67 310 A I H X S+ 0 0 10 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.913 108.1 51.0 -64.3 -40.8 60.1 52.6 29.8 68 311 A A H X S+ 0 0 7 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.923 111.6 49.7 -61.6 -42.9 57.7 55.6 29.8 69 312 A S H X S+ 0 0 10 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.911 113.2 40.7 -66.2 -47.4 54.7 53.2 29.5 70 313 A F H X S+ 0 0 37 -4,-2.3 4,-1.2 2,-0.2 12,-0.5 0.831 113.3 57.0 -74.1 -24.9 55.5 50.7 32.2 71 314 A S H < S+ 0 0 0 -4,-1.8 3,-0.3 -5,-0.3 4,-0.2 0.947 110.0 42.9 -66.4 -46.9 56.6 53.5 34.5 72 315 A H H >< S+ 0 0 21 -4,-2.1 3,-1.3 1,-0.2 4,-0.2 0.873 111.0 55.7 -67.3 -36.0 53.3 55.2 34.2 73 316 A R H >< S+ 0 0 41 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.796 105.8 54.9 -64.7 -26.6 51.4 51.9 34.6 74 317 A S G >< S+ 0 0 0 -4,-1.2 3,-0.8 -3,-0.3 -1,-0.2 0.412 71.8 103.7 -89.0 0.8 53.4 51.4 37.9 75 318 A I G < S+ 0 0 33 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.831 85.5 48.2 -52.1 -32.5 52.3 54.7 39.5 76 319 A A G < S+ 0 0 100 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.782 93.4 97.2 -79.4 -27.2 49.9 52.7 41.7 77 320 A V S < S- 0 0 31 -3,-0.8 3,-0.2 -4,-0.2 5,-0.1 -0.313 70.3-139.0 -64.1 144.3 52.6 50.1 42.6 78 321 A K S S- 0 0 141 1,-0.2 2,-0.3 3,-0.1 -1,-0.1 0.991 81.1 -12.5 -67.6 -84.2 54.4 50.5 45.9 79 322 A D S S+ 0 0 69 2,-0.1 12,-2.8 0, 0.0 13,-0.3 -0.574 124.8 34.1-122.7 67.4 58.1 49.8 45.4 80 323 A G E S-A 90 0A 2 -2,-0.3 2,-0.3 10,-0.3 10,-0.2 -0.972 79.1 -85.0 176.7-167.3 58.3 48.2 42.0 81 324 A I E -A 89 0A 4 8,-1.9 8,-2.3 -2,-0.3 2,-0.6 -0.924 23.1-131.2-129.2 154.2 56.9 48.0 38.5 82 325 A L E -A 88 0A 42 -12,-0.5 6,-0.2 -2,-0.3 2,-0.1 -0.923 25.1-146.4-106.4 118.6 54.0 46.2 36.8 83 326 A L > - 0 0 7 4,-3.4 3,-2.2 -2,-0.6 -58,-0.1 -0.457 23.9-116.1 -81.9 156.7 54.9 44.4 33.6 84 327 A A T 3 S+ 0 0 29 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.724 114.5 69.0 -63.0 -19.4 52.5 44.1 30.7 85 328 A T T 3 S- 0 0 69 2,-0.1 -1,-0.3 -61,-0.1 3,-0.1 0.445 120.9-107.6 -78.6 1.1 52.6 40.3 31.3 86 329 A G S < S+ 0 0 49 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.482 81.5 127.5 86.1 3.1 50.7 41.0 34.6 87 330 A L - 0 0 68 -63,-0.1 -4,-3.4 -62,-0.0 2,-0.4 -0.640 50.4-141.9 -94.9 149.6 53.8 40.3 36.6 88 331 A H E -A 82 0A 118 -2,-0.2 2,-0.6 -6,-0.2 -6,-0.2 -0.917 4.7-157.4-113.3 138.2 55.3 42.6 39.3 89 332 A V E -A 81 0A 5 -8,-2.3 -8,-1.9 -2,-0.4 2,-0.2 -0.959 15.5-148.4-115.8 114.6 59.0 43.1 39.9 90 333 A H E >> -A 80 0A 68 -2,-0.6 4,-2.1 -10,-0.2 3,-0.5 -0.529 21.8-119.4 -82.8 149.0 59.8 44.4 43.3 91 334 A R H 3> S+ 0 0 96 -12,-2.8 4,-2.4 1,-0.3 5,-0.2 0.871 116.2 53.9 -51.6 -41.5 62.7 46.7 44.0 92 335 A N H 3> S+ 0 0 100 -13,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.863 106.9 52.1 -63.9 -35.2 64.2 44.1 46.3 93 336 A S H <> S+ 0 0 42 -3,-0.5 4,-0.5 2,-0.2 -2,-0.2 0.901 109.2 48.2 -68.6 -41.4 64.0 41.5 43.5 94 337 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 3,-1.2 0.931 112.0 50.8 -64.0 -43.3 65.8 43.8 41.0 95 338 A H H ><5S+ 0 0 128 -4,-2.4 3,-1.7 1,-0.3 5,-0.4 0.923 106.7 53.6 -59.0 -45.4 68.5 44.4 43.6 96 339 A S H 3<5S+ 0 0 95 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.565 107.0 53.6 -68.2 -8.1 68.9 40.7 44.2 97 340 A A T <<5S- 0 0 36 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.349 120.4-104.4-107.3 3.8 69.5 40.2 40.5 98 341 A G T < 5S+ 0 0 66 -3,-1.7 -3,-0.2 -4,-0.3 3,-0.2 0.537 99.9 96.3 88.2 5.5 72.2 42.7 40.1 99 342 A V >< + 0 0 16 -5,-2.1 4,-1.7 -6,-0.2 -4,-0.2 -0.051 41.8 118.9-117.0 33.6 70.2 45.4 38.4 100 343 A G H > + 0 0 6 -5,-0.4 4,-2.6 -6,-0.3 -5,-0.2 0.862 67.9 56.6 -67.0 -39.0 69.3 47.5 41.5 101 344 A A H > S+ 0 0 83 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.957 113.3 37.4 -60.8 -53.6 71.0 50.8 40.5 102 345 A I H > S+ 0 0 15 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.883 115.2 56.1 -68.5 -34.7 69.1 51.2 37.2 103 346 A F H X S+ 0 0 12 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.927 106.9 49.3 -62.3 -43.8 65.9 49.9 38.7 104 347 A D H X S+ 0 0 41 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.842 106.0 56.9 -65.0 -32.1 66.0 52.5 41.5 105 348 A R H X>S+ 0 0 69 -4,-1.5 4,-2.7 2,-0.2 5,-0.6 0.900 106.4 50.5 -64.8 -39.9 66.6 55.3 38.9 106 349 A V H X>S+ 0 0 7 -4,-1.8 5,-2.4 3,-0.2 4,-1.3 0.928 114.8 42.8 -62.5 -45.1 63.4 54.2 37.1 107 350 A L H <>S+ 0 0 16 -4,-1.9 5,-2.9 3,-0.2 6,-0.2 0.908 122.6 38.6 -67.8 -42.8 61.4 54.3 40.4 108 351 A T H <5S+ 0 0 85 -4,-2.9 5,-0.3 3,-0.2 -2,-0.2 0.944 125.3 31.6 -74.7 -52.5 63.0 57.5 41.6 109 352 A E H <5S+ 0 0 46 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.732 135.3 16.0 -83.2 -22.8 63.3 59.6 38.5 110 353 A L T X S+ 0 0 84 -5,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.868 110.5 50.2 -70.3 -37.6 57.7 61.8 39.8 114 357 A M H X>S+ 0 0 12 -4,-2.7 5,-2.2 2,-0.2 4,-0.5 0.885 114.8 46.1 -66.0 -37.8 54.8 60.7 37.5 115 358 A R H ><5S+ 0 0 86 -4,-2.4 3,-0.8 -5,-0.3 -2,-0.2 0.928 108.2 55.6 -69.3 -45.2 53.0 59.8 40.7 116 359 A D H 3<5S+ 0 0 113 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.881 118.2 33.6 -54.6 -42.9 53.9 63.0 42.5 117 360 A M H 3<5S- 0 0 12 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.451 105.5-125.8 -94.4 -0.6 52.4 65.2 39.7 118 361 A Q T <<5 - 0 0 154 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.916 30.4-156.9 56.6 46.2 49.6 62.7 38.9 119 362 A M < - 0 0 9 -5,-2.2 2,-0.2 -6,-0.2 -1,-0.2 -0.294 11.3-142.6 -53.3 131.8 50.6 62.6 35.2 120 363 A D > - 0 0 27 -3,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.526 21.7-101.4 -98.8 169.6 47.5 61.5 33.2 121 364 A K H > S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.785 120.2 53.4 -57.2 -33.7 47.2 59.2 30.2 122 365 A T H > S+ 0 0 11 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 111.4 46.1 -68.7 -43.9 46.8 62.1 27.7 123 366 A E H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.915 113.7 48.4 -64.1 -44.1 50.0 63.7 29.0 124 367 A L H X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.929 110.6 52.6 -61.0 -45.7 51.9 60.4 28.9 125 368 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.906 111.1 45.4 -56.6 -46.2 50.6 59.8 25.4 126 369 A C H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.888 110.5 53.1 -66.4 -41.9 51.8 63.2 24.2 127 370 A L H X S+ 0 0 11 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.911 112.2 46.4 -61.4 -39.2 55.2 62.8 25.9 128 371 A R H X S+ 0 0 8 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.896 109.7 52.9 -69.6 -37.9 55.6 59.4 24.1 129 372 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.848 109.2 51.1 -65.3 -32.4 54.5 60.9 20.8 130 373 A I H < S+ 0 0 5 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.916 110.7 47.2 -69.4 -42.9 57.2 63.6 21.3 131 374 A V H < S+ 0 0 10 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.944 111.5 52.7 -61.6 -46.3 59.8 60.9 21.9 132 375 A L H < S+ 0 0 0 -4,-3.0 2,-2.2 1,-0.3 -2,-0.2 0.930 102.4 58.6 -53.8 -52.7 58.5 59.0 18.9 133 376 A F S < S+ 0 0 0 -4,-2.3 -1,-0.3 -5,-0.1 17,-0.1 -0.424 74.4 164.4 -79.7 66.2 58.9 62.1 16.6 134 377 A N > - 0 0 19 -2,-2.2 3,-1.6 -3,-0.3 13,-0.1 -0.763 22.1-170.1 -92.0 102.7 62.6 62.4 17.3 135 378 A P T 3 S+ 0 0 22 0, 0.0 -1,-0.2 0, 0.0 12,-0.1 0.665 83.0 65.1 -63.8 -20.8 64.0 64.8 14.6 136 379 A D T 3 S+ 0 0 107 -3,-0.1 2,-0.1 2,-0.1 -2,-0.0 0.558 70.7 125.0 -80.5 -9.3 67.6 64.0 15.7 137 380 A S X - 0 0 11 -3,-1.6 3,-1.2 1,-0.1 2,-0.1 -0.309 66.7-120.0 -54.1 122.2 67.2 60.3 14.6 138 381 A K T 3 S+ 0 0 186 1,-0.2 -1,-0.1 -82,-0.1 -2,-0.1 -0.379 91.4 28.8 -69.0 140.8 70.0 59.6 12.2 139 382 A G T 3 S+ 0 0 66 1,-0.3 -1,-0.2 -2,-0.1 -83,-0.1 0.307 76.9 155.1 95.5 -9.7 69.2 58.6 8.7 140 383 A L < - 0 0 20 -3,-1.2 -1,-0.3 1,-0.2 -87,-0.0 -0.268 39.2-148.1 -54.2 130.0 65.9 60.4 8.5 141 384 A S S S+ 0 0 85 1,-0.3 -1,-0.2 -91,-0.1 -2,-0.0 0.847 93.0 13.4 -70.5 -33.2 64.9 61.3 4.9 142 385 A N >> + 0 0 71 1,-0.1 4,-1.2 2,-0.0 3,-0.9 -0.600 65.4 172.6-145.1 79.4 63.2 64.5 6.0 143 386 A P H 3> S+ 0 0 62 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.813 79.7 63.9 -56.8 -32.6 64.0 65.5 9.6 144 387 A A H 3> S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.888 101.0 52.2 -59.7 -38.7 62.1 68.8 9.2 145 388 A E H <> S+ 0 0 72 -3,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.895 111.8 44.8 -64.2 -41.5 58.9 66.9 8.6 146 389 A V H X S+ 0 0 0 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.879 111.2 54.2 -70.2 -38.2 59.4 64.9 11.9 147 390 A E H X S+ 0 0 97 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.911 106.8 51.9 -61.2 -42.4 60.4 68.1 13.7 148 391 A A H X S+ 0 0 31 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.877 108.5 50.3 -63.4 -38.1 57.1 69.7 12.5 149 392 A L H X S+ 0 0 9 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.915 109.0 51.9 -67.2 -40.9 55.1 66.7 13.9 150 393 A R H X S+ 0 0 55 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.903 108.3 51.3 -60.0 -43.1 56.9 67.0 17.2 151 394 A E H X S+ 0 0 87 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.844 107.2 53.2 -64.2 -34.7 56.0 70.7 17.4 152 395 A K H X S+ 0 0 65 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.841 108.9 51.5 -69.5 -32.4 52.4 70.0 16.7 153 396 A V H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.964 112.3 42.1 -70.3 -51.2 52.4 67.5 19.6 154 397 A Y H X S+ 0 0 92 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.772 111.7 56.5 -70.4 -20.1 53.8 69.8 22.2 155 398 A A H X S+ 0 0 54 -4,-1.5 4,-1.6 -5,-0.2 -1,-0.2 0.911 112.4 42.2 -72.4 -41.2 51.6 72.6 21.0 156 399 A S H X S+ 0 0 30 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.857 112.8 54.0 -71.2 -35.8 48.6 70.4 21.6 157 400 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.916 108.0 49.4 -63.9 -45.0 50.0 69.1 24.9 158 401 A E H < S+ 0 0 79 -4,-2.0 5,-0.3 2,-0.2 -1,-0.2 0.892 110.4 49.9 -62.3 -41.8 50.5 72.6 26.2 159 402 A A H X S+ 0 0 63 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.918 109.9 51.4 -63.0 -43.1 46.9 73.6 25.3 160 403 A Y H X S+ 0 0 39 -4,-2.2 4,-2.2 3,-0.1 3,-0.6 0.961 109.1 56.4 -57.1 -53.1 45.6 70.5 27.1 161 404 A C H < S+ 0 0 0 -4,-2.8 2,-0.8 1,-0.2 0, 0.0 -0.364 109.5 33.9 -68.7 163.0 47.6 71.5 30.1 162 405 A K H 4 S+ 0 0 94 3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.004 119.8 55.7 77.4 -36.5 46.6 75.0 31.2 163 406 A H H < S+ 0 0 154 -2,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.778 121.3 27.1 -92.7 -33.9 43.1 74.1 30.0 164 407 A K S < S+ 0 0 101 -4,-2.2 -3,-0.2 -5,-0.2 3,-0.1 0.782 138.4 28.7 -93.8 -35.8 42.9 71.1 32.2 165 408 A Y > + 0 0 32 -5,-0.4 3,-2.0 1,-0.1 -3,-0.3 -0.492 66.9 155.2-125.3 63.0 45.3 72.3 34.9 166 409 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.781 73.5 62.4 -58.0 -28.5 45.0 76.1 34.8 167 410 A E T 3 S+ 0 0 126 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.555 97.3 60.6 -76.2 -8.6 46.1 76.2 38.4 168 411 A Q X + 0 0 68 -3,-2.0 3,-2.2 1,-0.1 4,-0.3 -0.654 58.3 171.8-121.5 75.9 49.5 74.7 37.5 169 412 A P T 3 S+ 0 0 97 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.758 80.2 51.2 -54.5 -27.2 51.2 77.1 35.0 170 413 A G T 3> S+ 0 0 45 1,-0.2 4,-2.1 2,-0.1 5,-0.1 0.288 80.0 98.3 -96.3 13.3 54.5 75.1 35.2 171 414 A R H <> S+ 0 0 3 -3,-2.2 4,-2.2 -6,-0.2 -1,-0.2 0.918 79.4 53.1 -65.2 -45.1 53.0 71.7 34.5 172 415 A F H > S+ 0 0 27 -4,-0.3 4,-1.9 -3,-0.3 -1,-0.2 0.920 113.2 44.3 -56.3 -46.1 53.8 71.7 30.8 173 416 A A H > S+ 0 0 48 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.882 109.7 55.9 -66.9 -38.7 57.5 72.4 31.5 174 417 A K H < S+ 0 0 119 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.872 107.6 50.0 -62.1 -37.2 57.5 69.9 34.3 175 418 A L H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 4,-0.3 0.940 111.5 46.3 -66.6 -47.8 56.3 67.2 31.9 176 419 A L H >< S+ 0 0 49 -4,-1.9 3,-1.4 1,-0.3 -1,-0.2 0.794 103.3 66.2 -65.9 -27.7 59.0 68.0 29.2 177 420 A L T 3< S+ 0 0 112 -4,-1.9 -1,-0.3 1,-0.3 4,-0.2 0.333 88.4 64.8 -80.5 9.1 61.6 68.1 31.9 178 421 A R T <> S+ 0 0 60 -3,-1.4 4,-2.1 2,-0.1 -1,-0.3 0.508 83.9 81.3 -99.9 -10.2 61.3 64.4 32.6 179 422 A L H <> S+ 0 0 37 -3,-1.4 4,-2.0 -4,-0.3 -2,-0.2 0.830 85.1 53.8 -65.3 -35.0 62.6 63.7 29.1 180 423 A P H > S+ 0 0 83 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.907 111.0 46.9 -68.2 -35.6 66.3 64.1 29.9 181 424 A A H > S+ 0 0 12 -4,-0.2 4,-2.9 2,-0.2 5,-0.2 0.906 111.5 51.6 -67.9 -41.6 66.0 61.5 32.7 182 425 A L H X S+ 0 0 9 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.864 110.7 49.1 -60.9 -38.6 64.0 59.2 30.4 183 426 A R H X S+ 0 0 98 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.922 113.2 45.6 -67.0 -46.9 66.8 59.6 27.8 184 427 A S H X S+ 0 0 49 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.912 115.3 46.7 -63.4 -45.5 69.6 58.8 30.3 185 428 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.907 110.6 53.1 -65.1 -40.6 67.7 55.9 31.8 186 429 A G H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.890 108.8 49.6 -61.5 -40.3 67.0 54.5 28.3 187 430 A L H X S+ 0 0 93 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.880 110.4 49.5 -66.8 -40.0 70.6 54.6 27.4 188 431 A K H X S+ 0 0 76 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.885 108.6 53.5 -66.8 -39.0 71.7 52.8 30.5 189 432 A C H X S+ 0 0 30 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.894 106.4 52.6 -63.4 -38.6 69.1 50.1 30.0 190 433 A L H X S+ 0 0 34 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.899 106.3 53.7 -63.9 -40.5 70.5 49.5 26.5 191 434 A E H X S+ 0 0 112 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.933 109.7 47.7 -58.3 -47.2 74.0 49.1 27.9 192 435 A H H X S+ 0 0 51 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.936 111.5 51.3 -58.8 -47.6 72.6 46.4 30.3 193 436 A L H X S+ 0 0 22 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.888 108.0 50.3 -58.6 -43.7 70.8 44.7 27.4 194 437 A F H X S+ 0 0 100 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.895 112.2 49.9 -63.3 -35.6 73.9 44.6 25.2 195 438 A F H X S+ 0 0 110 -4,-1.9 4,-3.1 -5,-0.2 -2,-0.2 0.935 108.8 49.5 -66.6 -48.2 75.7 43.1 28.1 196 439 A F H X S+ 0 0 26 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.894 112.4 49.7 -57.4 -41.2 73.1 40.4 28.8 197 440 A K H < S+ 0 0 91 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.886 112.8 46.9 -64.8 -39.9 73.2 39.5 25.1 198 441 A L H < S+ 0 0 140 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.929 110.1 52.3 -66.7 -48.4 77.0 39.3 25.2 199 442 A I H < S- 0 0 88 -4,-3.1 -1,-0.2 1,-0.1 -2,-0.2 0.812 100.9-136.4 -59.4 -34.8 77.1 37.2 28.4 200 443 A G < + 0 0 61 -4,-1.7 -1,-0.1 1,-0.4 -3,-0.1 0.051 68.7 107.2 100.1 -28.7 74.7 34.7 26.9 201 444 A D + 0 0 86 -5,-0.1 -1,-0.4 2,-0.1 -2,-0.1 -0.262 55.8 58.1 -74.0 173.3 72.5 34.3 30.0 202 445 A T S S- 0 0 15 -3,-0.1 2,-0.1 1,-0.1 -2,-0.1 0.900 87.4-115.1 69.3 98.0 69.0 35.8 29.8 203 446 A P - 0 0 84 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.439 31.0-159.6 -63.9 133.7 66.9 34.5 26.9 204 447 A I - 0 0 28 -2,-0.1 -177,-0.1 -7,-0.1 -181,-0.0 -0.981 10.3-135.1-121.2 123.2 66.2 37.3 24.5 205 448 A D > - 0 0 64 -2,-0.5 4,-2.7 -179,-0.2 5,-0.2 -0.176 28.1 -96.9 -71.7 167.0 63.3 37.0 22.1 206 449 A T H > S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 14,-0.1 0.790 117.0 44.2 -56.6 -40.8 63.3 37.8 18.3 207 450 A F H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.923 116.6 46.1 -75.4 -41.9 61.8 41.3 18.3 208 451 A L H > S+ 0 0 1 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.926 113.7 51.2 -62.8 -41.4 63.9 42.5 21.2 209 452 A M H < S+ 0 0 58 -4,-2.7 4,-0.5 1,-0.2 3,-0.3 0.890 106.6 53.6 -62.2 -40.7 66.9 40.9 19.6 210 453 A E H >< S+ 0 0 6 -4,-1.9 3,-1.1 1,-0.2 -1,-0.2 0.881 105.3 54.2 -61.8 -38.3 66.2 42.6 16.3 211 454 A M H 3< S+ 0 0 11 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.818 105.8 53.1 -66.7 -27.7 66.1 46.0 18.1 212 455 A L T 3< S+ 0 0 7 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.540 90.0 103.8 -83.8 -5.6 69.6 45.2 19.5 213 456 A E S < S- 0 0 75 -3,-1.1 -3,-0.0 -4,-0.5 0, 0.0 -0.377 78.3 -51.6 -73.4 154.7 70.9 44.5 15.9 214 457 A A 0 0 81 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.316 360.0 360.0 -68.8 153.7 73.1 47.2 14.2 215 458 A P 0 0 152 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.561 360.0 360.0 -62.9 360.0 73.0 50.1 13.6 216 !* 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 0.0 217 686 B K 0 0 185 0, 0.0 5,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 174.2 67.3 44.2 7.3 218 687 B H > - 0 0 15 -8,-0.1 4,-1.8 3,-0.1 5,-0.2 0.952 360.0-179.3 50.8 59.1 65.0 44.5 10.4 219 688 B K H > S+ 0 0 139 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.911 70.3 46.2 -52.5 -57.2 62.6 41.9 9.1 220 689 B I H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.936 111.6 49.2 -57.0 -53.7 60.0 41.9 11.9 221 690 B L H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.915 112.4 47.8 -55.6 -48.0 59.6 45.7 12.2 222 691 B H H X S+ 0 0 45 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.933 112.7 49.1 -59.4 -47.5 59.1 46.3 8.4 223 692 B R H X S+ 0 0 158 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.906 112.1 47.9 -58.4 -45.1 56.6 43.5 8.2 224 693 B L H < S+ 0 0 45 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.825 112.7 48.5 -67.5 -33.2 54.6 44.8 11.2 225 694 B L H < S+ 0 0 12 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.820 110.9 50.6 -76.4 -32.5 54.6 48.3 9.8 226 695 B Q H < 0 0 140 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.1 0.940 360.0 360.0 -70.9 -49.8 53.5 47.3 6.3 227 696 B D < 0 0 164 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.1 0.931 360.0 360.0 -50.3 360.0 50.5 45.2 7.3