==== 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 VIRAL PROTEIN 17-OCT-06 2J7U . COMPND 2 MOLECULE: RNA DEPENDENT RNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DENGUE VIRUS; . AUTHOR T.L.YAP,T.XU,Y.L.CHEN,H.MALET,M.P.EGLOFF,B.CANARD,S.G.VASUDE . 573 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25987.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 371 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 7.0 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 33 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.3 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 3 1 4 1 2 0 0 1 3 0 2 0 0 3 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 5 1 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 1 273 A M > 0 0 138 0, 0.0 4,-1.6 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 119.1 45.0 62.0 42.7 2 274 A D H > + 0 0 83 1,-0.2 4,-0.6 2,-0.2 0, 0.0 0.840 360.0 53.9 -68.5 -36.6 48.0 61.1 40.4 3 275 A V H 4 S+ 0 0 54 1,-0.2 154,-0.3 2,-0.1 4,-0.2 0.859 120.2 31.1 -66.6 -37.6 45.8 60.3 37.4 4 276 A I H > S+ 0 0 7 1,-0.1 4,-1.3 2,-0.1 3,-0.3 0.634 99.4 88.6 -96.5 -17.4 44.0 63.7 37.4 5 277 A G H X S+ 0 0 23 -4,-1.6 4,-2.1 1,-0.2 3,-0.5 0.869 81.0 50.3 -53.6 -58.5 46.8 65.9 38.9 6 278 A E H X S+ 0 0 71 -4,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.834 108.9 52.9 -55.2 -41.2 48.8 67.1 35.9 7 279 A R H > S+ 0 0 1 150,-0.3 4,-1.2 -3,-0.3 -1,-0.2 0.863 109.5 48.7 -63.9 -39.7 45.8 68.3 33.9 8 280 A I H X S+ 0 0 19 -4,-1.3 4,-2.1 -3,-0.5 3,-0.2 0.917 109.9 52.5 -64.6 -45.2 44.6 70.4 36.9 9 281 A K H X S+ 0 0 123 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.780 105.3 54.9 -62.7 -31.8 48.0 72.0 37.4 10 282 A R H X S+ 0 0 84 -4,-1.4 4,-1.4 148,-0.2 -1,-0.2 0.854 110.7 42.8 -74.7 -37.7 48.3 73.0 33.7 11 283 A I H X S+ 0 0 19 -4,-1.2 4,-2.7 -3,-0.2 -2,-0.2 0.867 115.6 51.2 -72.4 -38.3 45.0 75.0 33.7 12 284 A K H < S+ 0 0 74 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.824 107.8 53.7 -63.9 -35.1 46.0 76.5 37.1 13 285 A E H < S+ 0 0 155 -4,-1.6 3,-0.5 -5,-0.2 -1,-0.2 0.883 115.5 37.7 -68.0 -41.6 49.4 77.4 35.7 14 286 A E H < S+ 0 0 94 -4,-1.4 2,-0.7 1,-0.2 3,-0.3 0.899 122.4 42.5 -78.3 -43.8 47.9 79.4 32.7 15 287 A H S < S+ 0 0 44 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.1 -0.532 74.0 124.9-103.0 63.6 44.9 80.9 34.6 16 288 A N > + 0 0 108 -2,-0.7 3,-0.7 -3,-0.5 -1,-0.2 0.682 58.1 72.0 -92.2 -22.4 46.8 81.8 37.8 17 289 A S T 3 S+ 0 0 122 -3,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.751 115.2 21.8 -65.5 -27.5 45.7 85.5 37.8 18 290 A T T 3 S+ 0 0 51 -3,-0.1 20,-0.4 2,-0.0 2,-0.3 0.058 87.0 139.5-131.5 23.6 42.1 84.7 38.7 19 291 A W < + 0 0 67 -3,-0.7 2,-0.3 17,-0.1 17,-0.2 -0.558 23.2 163.2 -74.1 130.0 42.4 81.2 40.3 20 292 A H B -A 35 0A 58 15,-1.8 15,-1.5 -2,-0.3 2,-0.6 -0.996 37.3-127.0-151.2 143.8 40.2 80.7 43.4 21 293 A Y - 0 0 156 -2,-0.3 2,-0.4 13,-0.2 13,-0.1 -0.821 28.0-151.9 -93.2 122.4 38.8 77.9 45.5 22 294 A D - 0 0 43 -2,-0.6 3,-0.2 1,-0.1 10,-0.0 -0.823 18.3-169.6-102.3 131.0 35.0 78.0 45.9 23 295 A D S S+ 0 0 135 -2,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.545 82.4 62.4 -88.1 -11.0 33.2 76.6 49.0 24 296 A E + 0 0 168 2,-0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.666 65.9 148.8-121.0 74.9 29.8 77.1 47.3 25 297 A N - 0 0 44 -2,-0.5 7,-0.1 -3,-0.2 0, 0.0 -0.920 45.3-140.8-112.1 134.4 29.6 74.9 44.2 26 298 A P S S+ 0 0 51 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.601 72.1 108.3 -67.1 -12.9 26.4 73.2 42.8 27 299 A Y + 0 0 17 1,-0.2 -2,-0.2 2,-0.1 5,-0.1 -0.551 36.5 167.4 -72.3 119.7 28.3 70.0 41.9 28 300 A K S S+ 0 0 81 -2,-0.4 -1,-0.2 54,-0.1 4,-0.1 0.740 79.9 20.4-103.6 -32.9 27.3 67.3 44.3 29 301 A T S S+ 0 0 21 2,-0.1 2,-0.5 54,-0.0 -2,-0.1 0.562 105.9 86.1-114.1 -18.2 28.8 64.2 42.6 30 302 A W S S- 0 0 12 257,-0.1 2,-0.3 258,-0.0 257,-0.2 -0.785 87.9-116.5 -84.5 124.3 31.4 65.8 40.4 31 303 A A E - B 0 286A 48 255,-2.1 255,-1.6 -2,-0.5 2,-0.3 -0.459 30.0-139.0 -66.3 122.1 34.6 66.3 42.3 32 304 A Y E + B 0 285A 33 -2,-0.3 253,-0.2 253,-0.2 3,-0.1 -0.611 35.1 157.7 -88.9 142.9 35.4 70.0 42.6 33 305 A H E - 0 0 53 251,-1.3 2,-0.3 1,-0.4 -1,-0.1 0.626 56.6 -60.0-128.1 -47.5 38.9 71.4 42.2 34 306 A G E - B 0 284A 0 250,-1.0 250,-2.8 -13,-0.1 -1,-0.4 -0.985 35.3-122.7 175.9-178.7 38.7 75.1 41.3 35 307 A S E -AB 20 283A 0 -15,-1.5 -15,-1.8 -2,-0.3 248,-0.2 -0.993 18.6-164.2-149.9 148.0 37.5 77.9 39.0 36 308 A Y E + B 0 282A 14 246,-1.8 246,-1.0 -2,-0.3 2,-0.5 -0.518 58.9 55.6-121.2-174.1 39.1 80.8 37.1 37 309 A E 0 0 91 1,-0.2 243,-0.2 244,-0.2 244,-0.1 -0.040 360.0 360.0 79.3 -30.4 38.3 84.1 35.3 38 310 A V 0 0 47 -2,-0.5 243,-0.2 -20,-0.4 -1,-0.2 0.256 360.0 360.0 51.3 360.0 36.6 85.5 38.4 39 ! 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 40 317 A S 0 0 92 0, 0.0 2,-0.3 0, 0.0 396,-0.2 0.000 360.0 360.0 360.0 -33.8 23.0 83.0 18.8 41 318 A S - 0 0 43 23,-0.1 394,-0.2 394,-0.1 396,-0.2 -0.976 360.0-140.5-134.5 145.4 21.3 82.2 15.5 42 319 A M E -D 434 0B 62 394,-1.2 392,-3.2 392,-0.8 2,-0.4 -0.462 25.4 -97.2-101.6 171.1 19.2 84.2 12.9 43 320 A I E -D 433 0B 57 390,-0.2 2,-1.0 -2,-0.1 390,-0.3 -0.711 31.5-121.8 -88.5 135.5 16.2 83.5 10.8 44 321 A N > - 0 0 0 388,-2.6 4,-2.4 -2,-0.4 5,-0.1 -0.699 24.4-165.9 -75.8 103.5 16.5 82.4 7.2 45 322 A G H > S+ 0 0 41 -2,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.790 82.9 55.6 -62.2 -33.6 14.7 85.2 5.4 46 323 A V H > S+ 0 0 5 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.959 112.7 40.0 -65.9 -52.4 14.5 83.3 2.1 47 324 A V H 4 S+ 0 0 0 384,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.904 116.3 53.2 -63.1 -40.8 12.8 80.2 3.6 48 325 A K H >< S+ 0 0 96 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.924 106.7 49.9 -60.6 -49.7 10.6 82.5 5.8 49 326 A L H 3< S+ 0 0 69 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.815 114.3 46.6 -60.7 -29.9 9.3 84.6 2.9 50 327 A L T 3< S+ 0 0 0 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.410 110.1 52.8 -96.2 1.3 8.4 81.4 1.0 51 328 A T X + 0 0 0 -3,-1.3 3,-1.4 -4,-0.5 -1,-0.2 -0.345 64.4 152.3-128.1 52.3 6.7 79.7 3.9 52 329 A K G > + 0 0 143 -3,-0.4 3,-2.1 1,-0.3 4,-0.4 0.831 65.1 60.1 -54.7 -45.1 4.2 82.3 5.0 53 330 A P G > S+ 0 0 14 0, 0.0 3,-0.9 0, 0.0 -1,-0.3 0.766 99.4 60.9 -56.1 -24.6 1.4 80.1 6.5 54 331 A W G X S+ 0 0 1 -3,-1.4 3,-0.9 1,-0.2 -2,-0.2 0.386 77.6 84.8 -89.0 2.6 4.0 78.8 9.0 55 332 A D G < S+ 0 0 64 -3,-2.1 -1,-0.2 1,-0.2 2,-0.1 0.805 92.8 51.4 -64.2 -30.0 4.6 82.2 10.5 56 333 A V G < S+ 0 0 131 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.1 -0.266 86.5 107.5-103.7 46.0 1.5 81.3 12.6 57 334 A V <> - 0 0 16 -3,-0.9 4,-2.0 1,-0.1 3,-0.4 -0.982 60.8-146.1-127.0 120.5 2.7 77.9 13.9 58 335 A P H > S+ 0 0 106 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.835 98.4 50.8 -51.2 -45.1 3.9 77.4 17.5 59 336 A M H > S+ 0 0 78 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.880 109.8 51.1 -64.3 -37.7 6.6 74.8 16.8 60 337 A V H > S+ 0 0 7 -3,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.922 111.9 47.1 -63.4 -43.8 8.1 77.1 14.2 61 338 A T H X S+ 0 0 78 -4,-2.0 4,-0.5 1,-0.2 -2,-0.2 0.909 110.4 53.3 -63.1 -44.8 8.2 80.0 16.6 62 339 A Q H >< S+ 0 0 122 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.899 106.9 50.4 -56.6 -47.8 9.7 77.8 19.4 63 340 A M H 3< S+ 0 0 40 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.808 102.2 62.2 -65.2 -30.4 12.6 76.6 17.2 64 341 A A H 3< S+ 0 0 39 -4,-1.3 2,-0.6 -3,-0.2 -1,-0.3 0.634 84.7 92.5 -69.4 -16.6 13.4 80.2 16.3 65 342 A M << - 0 0 134 -3,-1.3 2,-0.5 -4,-0.5 -3,-0.0 -0.735 60.6-174.7 -80.9 119.3 14.1 80.9 20.0 66 343 A T + 0 0 42 -2,-0.6 -25,-0.1 -25,-0.2 2,-0.1 -0.971 18.6 167.8-124.2 123.1 17.9 80.4 20.6 67 344 A D + 0 0 72 -2,-0.5 2,-1.7 5,-0.1 5,-0.1 -0.481 10.0 157.8-132.2 62.1 19.5 80.6 24.1 68 345 A T + 0 0 125 3,-0.1 5,-0.1 -2,-0.1 -2,-0.0 -0.628 39.2 128.8 -84.0 79.4 23.0 79.2 23.8 69 346 A T S S- 0 0 69 -2,-1.7 3,-0.5 1,-0.0 -2,-0.1 -0.885 78.3-107.6-134.3 158.7 24.2 81.0 26.9 70 347 A P S S+ 0 0 60 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.518 122.5 57.3 -61.1 -5.9 26.1 80.4 30.2 71 348 A F S S+ 0 0 167 2,-0.1 4,-0.4 1,-0.1 3,-0.2 0.779 105.9 45.5 -91.3 -37.0 22.6 80.9 31.7 72 349 A G S S+ 0 0 34 -3,-0.5 -1,-0.1 1,-0.2 -5,-0.1 -0.004 105.7 66.2 -92.9 27.1 21.0 78.1 29.7 73 350 A Q S > S+ 0 0 65 -3,-0.2 4,-1.9 2,-0.1 -1,-0.2 0.661 90.3 57.4-114.1 -35.3 23.9 75.8 30.5 74 351 A Q H > S+ 0 0 32 -4,-0.4 4,-1.7 1,-0.2 -2,-0.1 0.735 103.6 56.5 -69.9 -25.1 23.4 75.4 34.3 75 352 A R H 4 S+ 0 0 73 -4,-0.4 -1,-0.2 2,-0.2 -2,-0.1 0.822 108.7 46.1 -73.5 -34.4 19.9 74.1 33.7 76 353 A V H >>>S+ 0 0 103 -3,-0.1 4,-0.8 1,-0.1 3,-0.7 0.903 115.8 44.2 -74.2 -44.6 21.2 71.3 31.4 77 354 A F H 3X>S+ 0 0 30 -4,-1.9 5,-1.5 1,-0.2 2,-0.9 0.920 111.2 51.5 -68.8 -47.3 24.1 70.2 33.7 78 355 A K H 3<5S+ 0 0 134 -4,-1.7 -1,-0.2 3,-0.2 -2,-0.1 -0.259 103.2 62.8 -91.0 48.1 22.1 70.2 37.0 79 356 A E H <45S- 0 0 72 -2,-0.9 -1,-0.2 -3,-0.7 -2,-0.1 0.553 126.2 -12.9-128.3 -58.1 19.3 68.1 35.7 80 357 A K H <5S+ 0 0 38 -4,-0.8 3,-0.4 -3,-0.1 -3,-0.1 0.609 128.5 61.1-121.6 -27.8 20.6 64.6 34.7 81 358 A V T < - 0 0 65 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.207 38.3-104.5 -62.9 157.9 23.7 43.8 41.2 90 367 A P H > S+ 0 0 39 0, 0.0 4,-2.0 0, 0.0 237,-0.2 0.884 120.9 46.8 -54.3 -45.3 26.4 41.1 41.2 91 368 A G H > S+ 0 0 0 235,-1.4 4,-2.5 2,-0.2 236,-0.2 0.910 110.7 52.1 -63.4 -45.0 24.5 38.8 38.8 92 369 A T H > S+ 0 0 0 234,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.927 109.1 51.0 -54.6 -47.8 23.6 41.7 36.5 93 370 A R H X S+ 0 0 67 -4,-2.5 4,-2.3 233,-0.3 -1,-0.2 0.900 109.6 51.1 -57.7 -42.2 27.3 42.6 36.3 94 371 A K H X S+ 0 0 57 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.930 111.0 46.4 -60.8 -49.3 28.1 38.9 35.5 95 372 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.902 112.4 51.4 -60.4 -43.6 25.6 38.7 32.6 96 373 A M H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.919 110.9 47.9 -60.7 -44.6 26.8 42.1 31.3 97 374 A E H X S+ 0 0 93 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.916 112.9 47.0 -62.2 -48.1 30.4 40.9 31.3 98 375 A I H X S+ 0 0 16 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.917 115.9 46.4 -59.8 -44.4 29.7 37.6 29.6 99 376 A T H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.898 111.3 51.0 -66.5 -43.8 27.5 39.4 27.0 100 377 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.914 110.4 49.6 -61.1 -44.7 30.1 42.1 26.4 101 378 A E H X S+ 0 0 52 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.933 114.2 45.0 -58.1 -48.6 32.9 39.5 25.8 102 379 A W H X S+ 0 0 13 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.880 113.5 50.7 -62.3 -40.4 30.7 37.6 23.4 103 380 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.916 109.1 48.9 -68.4 -45.8 29.7 40.8 21.6 104 381 A W H X S+ 0 0 2 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.898 112.1 49.8 -59.8 -42.2 33.2 42.1 21.1 105 382 A R H < S+ 0 0 128 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.922 112.5 47.8 -61.2 -43.4 34.3 38.7 19.7 106 383 A T H >< S+ 0 0 18 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.933 112.5 48.5 -61.7 -47.8 31.3 38.7 17.3 107 384 A L H 3< S+ 0 0 1 -4,-2.9 3,-0.3 1,-0.3 4,-0.3 0.756 113.4 47.5 -65.0 -28.0 32.0 42.3 16.2 108 385 A G T 3< S+ 0 0 15 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.178 78.5 108.1 -99.6 17.1 35.7 41.5 15.6 109 386 A R S < S+ 0 0 85 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.804 98.0 12.6 -65.8 -32.5 35.1 38.3 13.6 110 387 A N S S+ 0 0 116 -3,-0.3 2,-0.3 -4,-0.2 -1,-0.2 0.514 122.3 65.8-119.2 -17.2 36.1 39.8 10.3 111 388 A K - 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0 0 0 -3,-0.7 56,-2.4 -4,-0.3 -149,-0.1 -0.695 57.4-155.6 -75.2 116.4 26.8 54.8 31.6 235 542 A T > - 0 0 4 -2,-0.6 4,-2.2 142,-0.2 5,-0.1 -0.349 30.0-104.5 -92.0 172.0 28.3 53.1 34.7 236 543 A E H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.877 125.0 53.5 -59.7 -38.7 31.8 52.1 35.7 237 544 A D H > S+ 0 0 20 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.909 106.3 51.0 -64.3 -41.8 30.9 48.6 34.9 238 545 A D H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.916 109.6 51.4 -58.0 -45.9 29.7 49.6 31.4 239 546 A L H X S+ 0 0 3 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.893 109.0 49.8 -60.2 -41.6 33.1 51.4 30.9 240 547 A H H < S+ 0 0 92 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.830 111.4 49.2 -67.1 -33.0 35.0 48.3 31.9 241 548 A N H >< S+ 0 0 7 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.872 110.2 50.3 -72.2 -39.1 32.9 46.2 29.5 242 549 A E H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.834 102.0 63.2 -64.0 -34.9 33.5 48.6 26.6 243 550 A E G >< S+ 0 0 24 -4,-1.7 3,-2.3 1,-0.3 -1,-0.2 0.686 78.3 86.9 -65.3 -20.6 37.3 48.6 27.4 244 551 A K G X + 0 0 23 -3,-0.8 3,-1.5 -4,-0.4 -1,-0.3 0.669 68.7 78.7 -58.3 -19.0 37.4 44.8 26.5 245 552 A I G X S+ 0 0 0 -3,-1.3 3,-1.9 1,-0.2 -1,-0.3 0.784 77.6 73.2 -58.0 -27.5 37.9 45.8 22.8 246 553 A I G X S+ 0 0 4 -3,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.776 80.2 72.3 -61.5 -25.2 41.6 46.5 23.7 247 554 A Q G < S+ 0 0 109 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.743 96.2 52.1 -58.5 -25.2 42.1 42.7 23.9 248 555 A Q G < S+ 0 0 53 -3,-1.9 -1,-0.3 -4,-0.2 2,-0.2 0.436 94.3 98.2 -92.4 -0.6 41.9 42.6 20.1 249 556 A M S < S- 0 0 15 -3,-1.7 -135,-0.1 -4,-0.2 -3,-0.0 -0.565 76.7-111.6 -93.1 150.9 44.5 45.3 19.6 250 557 A D > - 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0 0 11 -2,-0.4 3,-1.3 1,-0.2 6,-0.1 -0.736 25.3-159.4 -77.3 99.8 32.0 62.0 28.1 293 600 A S T 3 S+ 0 0 80 -2,-1.2 -1,-0.2 1,-0.3 5,-0.1 0.780 82.7 52.3 -57.5 -36.9 29.5 63.3 25.5 294 601 A G T 3 S+ 0 0 58 -3,-0.1 2,-0.4 4,-0.1 -1,-0.3 -0.065 90.5 106.6 -92.4 33.4 32.0 65.5 23.5 295 602 A Q S X S- 0 0 26 -3,-1.3 3,-1.5 -118,-0.0 2,-0.1 -0.909 74.5-111.0-118.7 140.4 34.4 62.6 23.0 296 603 A V T 3 S+ 0 0 36 -2,-0.4 -4,-0.1 1,-0.2 -114,-0.1 -0.425 104.5 36.2 -64.6 136.8 35.3 60.6 19.9 297 604 A G T 3> S+ 0 0 5 -2,-0.1 4,-2.6 -115,-0.1 5,-0.2 0.246 82.1 114.3 100.7 -10.7 34.1 57.0 20.1 298 605 A T H <> S+ 0 0 16 -3,-1.5 4,-2.4 1,-0.2 5,-0.2 0.904 75.5 48.3 -59.0 -46.1 31.0 58.0 22.1 299 606 A Y H > S+ 0 0 46 2,-0.2 4,-2.5 1,-0.2 56,-0.3 0.937 114.2 44.8 -62.1 -50.5 28.6 56.9 19.3 300 607 A G H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.915 115.4 47.0 -58.8 -47.8 30.2 53.4 18.8 301 608 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.873 112.2 50.0 -67.3 -36.9 30.5 52.7 22.5 302 609 A N H X S+ 0 0 10 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.933 111.2 49.7 -62.5 -46.0 26.9 53.8 23.2 303 610 A T H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.922 112.0 49.0 -58.0 -45.6 25.8 51.5 20.3 304 611 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.941 113.8 44.1 -58.2 -52.2 27.8 48.6 21.8 305 612 A T H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.836 113.5 51.0 -69.2 -32.6 26.5 49.0 25.3 306 613 A N H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.914 109.2 51.3 -68.6 -42.4 22.9 49.5 24.0 307 614 A M H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.937 112.8 46.2 -54.8 -49.3 23.2 46.3 21.9 308 615 A E H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.940 112.1 50.4 -59.2 -49.6 24.5 44.4 25.0 309 616 A A H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.894 110.2 49.3 -58.3 -43.8 21.7 45.9 27.3 310 617 A Q H X S+ 0 0 8 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.834 108.7 52.7 -68.1 -34.0 18.9 44.9 24.8 311 618 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.915 109.6 50.0 -63.2 -42.8 20.3 41.3 24.5 312 619 A V H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.936 110.8 49.0 -60.4 -46.6 20.2 41.1 28.3 313 620 A R H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.911 109.8 51.8 -59.5 -42.3 16.6 42.4 28.3 314 621 A Q H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.903 107.9 52.6 -60.5 -42.3 15.7 39.8 25.6 315 622 A M H <>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 6,-0.9 0.897 109.9 48.2 -56.8 -46.5 17.2 37.1 27.8 316 623 A E H ><5S+ 0 0 20 -4,-2.1 3,-1.6 4,-0.2 -2,-0.2 0.922 109.8 51.9 -61.8 -46.6 15.1 38.2 30.8 317 624 A G H 3<5S+ 0 0 6 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.893 108.8 51.7 -54.1 -41.6 11.9 38.2 28.6 318 625 A E T 3<5S- 0 0 32 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.422 119.5-110.4 -80.1 -0.4 12.7 34.7 27.5 319 626 A G T < 5S+ 0 0 46 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.528 87.9 118.3 84.4 7.6 13.1 33.5 31.1 320 627 A V S - 0 0 60 -2,-0.5 4,-2.1 -3,-0.1 5,-0.2 -0.701 44.4-102.5-114.0 169.1 15.4 35.7 36.7 323 630 A K H > S+ 0 0 122 -2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.887 125.0 54.2 -55.3 -40.5 15.4 38.1 39.7 324 631 A A H > S+ 0 0 63 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.881 106.0 51.9 -63.3 -40.0 17.3 35.5 41.6 325 632 A D H >4 S+ 0 0 19 1,-0.2 3,-0.5 2,-0.2 -2,-0.2 0.917 108.3 50.4 -59.6 -47.4 20.0 35.3 38.8 326 633 A L H 3< S+ 0 0 4 -4,-2.1 -234,-1.5 1,-0.2 -235,-1.4 0.823 113.5 45.4 -64.3 -32.8 20.5 39.1 38.9 327 634 A E H 3< S+ 0 0 91 -4,-1.6 -1,-0.2 -236,-0.2 -2,-0.2 0.671 90.1 108.1 -79.6 -19.9 21.0 39.1 42.7 328 635 A N X< - 0 0 56 -4,-1.1 3,-1.0 -3,-0.5 -3,-0.0 -0.465 49.6-167.7 -73.0 115.4 23.3 36.0 42.6 329 636 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.563 93.6 45.7 -72.3 -6.7 27.0 36.8 43.3 330 637 A H T 3 S+ 0 0 142 -5,-0.1 -2,-0.1 2,-0.0 2,-0.0 -0.182 79.6 164.9-129.3 36.4 27.8 33.3 42.0 331 638 A L < - 0 0 5 -3,-1.0 2,-0.3 -6,-0.2 -6,-0.0 -0.322 37.2-122.3 -58.5 131.4 25.7 33.2 38.9 332 639 A L - 0 0 139 1,-0.1 4,-0.4 -2,-0.0 3,-0.2 -0.589 9.5-148.8 -79.9 140.3 26.7 30.3 36.6 333 640 A E S >> S+ 0 0 104 -2,-0.3 4,-2.5 1,-0.2 3,-0.8 0.736 74.7 91.9 -76.7 -26.1 27.7 31.2 33.0 334 641 A K H 3> S+ 0 0 180 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.824 88.2 39.2 -43.4 -60.0 26.4 28.1 31.4 335 642 A K H 3> S+ 0 0 85 -3,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.798 116.8 51.6 -67.2 -29.5 22.9 29.1 30.3 336 643 A I H <> S+ 0 0 0 -3,-0.8 4,-2.7 -4,-0.4 -2,-0.2 0.961 112.1 44.6 -70.4 -53.6 24.0 32.6 29.3 337 644 A T H X S+ 0 0 56 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.887 113.1 53.1 -54.6 -42.5 26.8 31.4 27.0 338 645 A Q H X S+ 0 0 122 -4,-2.4 4,-1.9 -5,-0.3 5,-0.2 0.913 110.5 46.4 -61.1 -44.5 24.4 28.7 25.6 339 646 A W H X>S+ 0 0 6 -4,-1.9 4,-2.8 2,-0.2 5,-0.9 0.929 114.8 47.2 -62.6 -47.6 21.8 31.4 24.8 340 647 A L H X5S+ 0 0 3 -4,-2.7 4,-1.1 3,-0.2 5,-0.5 0.914 114.3 45.8 -62.0 -45.1 24.4 33.7 23.2 341 648 A E H <5S+ 0 0 111 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.819 124.2 32.6 -70.0 -32.8 26.0 30.9 21.1 342 649 A T H <5S+ 0 0 80 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.778 139.4 11.4 -93.8 -29.3 22.8 29.5 19.9 343 650 A K H X5S+ 0 0 82 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.547 95.5 97.5-126.9 -16.7 20.5 32.5 19.6 344 651 A G H X S+ 0 0 44 -5,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.916 113.9 52.9 -63.3 -43.8 23.1 36.6 16.3 346 653 A E H 4 S+ 0 0 73 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.927 111.5 47.4 -54.1 -46.0 19.4 35.8 15.6 347 654 A R H >< S+ 0 0 21 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.814 107.1 55.5 -70.4 -31.4 18.4 38.1 18.4 348 655 A L H >< S+ 0 0 0 -4,-2.0 3,-1.6 -5,-0.2 -1,-0.2 0.880 101.5 59.4 -63.4 -38.0 20.8 40.9 17.2 349 656 A K T 3< S+ 0 0 110 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.678 94.5 65.6 -64.9 -17.5 19.1 40.7 13.8 350 657 A R T < S+ 0 0 13 -3,-0.6 11,-2.4 -4,-0.5 2,-0.3 0.292 98.0 72.9 -84.0 5.0 15.8 41.6 15.6 351 658 A M E < - G 0 360C 0 -3,-1.6 2,-0.4 9,-0.2 9,-0.2 -0.905 56.9-160.4-128.6 151.8 17.1 45.0 16.5 352 659 A A E - G 0 359C 0 7,-2.2 7,-1.9 -2,-0.3 2,-0.4 -0.987 27.6-179.8-124.2 118.0 18.0 48.4 15.0 353 660 A I E +eG 198 358C 0 -156,-2.7 -154,-0.6 -2,-0.4 2,-0.4 -0.978 18.3 170.1-131.2 124.0 20.4 50.3 17.3 354 661 A S E > - G 0 357C 8 3,-3.0 3,-2.6 -2,-0.4 48,-0.1 -0.901 67.6 -63.6-132.0 102.2 21.9 53.7 16.9 355 662 A G T 3 S- 0 0 5 -2,-0.4 -49,-0.1 -56,-0.3 -1,-0.1 -0.380 122.6 -10.0 55.3-125.5 23.7 54.9 20.0 356 663 A D T 3 S+ 0 0 71 -3,-0.1 2,-0.5 -2,-0.1 -129,-0.4 0.463 120.0 96.3 -78.7 -1.8 21.0 55.3 22.7 357 664 A D E < + G 0 354C 31 -3,-2.6 -3,-3.0 -131,-0.1 2,-0.3 -0.786 53.2 171.5 -97.2 127.7 18.3 54.7 20.2 358 665 A C E - G 0 353C 4 -2,-0.5 2,-0.4 -133,-0.3 -5,-0.2 -0.975 28.5-169.2-139.2 151.0 16.8 51.3 19.7 359 666 A V E - G 0 352C 0 -7,-1.9 -7,-2.2 -2,-0.3 2,-0.4 -0.993 20.9-176.4-129.7 131.9 14.1 49.2 18.1 360 667 A V E -FG 223 351C 1 -137,-2.5 -137,-3.0 -2,-0.4 -9,-0.2 -0.994 19.3-168.6-135.9 126.3 13.7 45.6 19.3 361 668 A K - 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