==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 18-AUG-97 1KFS . COMPND 2 MOLECULE: DNA (5'-D(*GP*CP*TP*TP*AP*CP*G)-3'); . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.A.BRAUTIGAM,T.A.STEITZ . 601 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27492.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 432 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 31 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 254 42.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 2 2 0 1 4 4 0 1 1 1 2 1 0 1 1 0 0 0 0 0 0 2 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 2 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 PARALLEL BRIDGES PER LADDER . 4 0 2 0 0 4 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 1 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 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 1 324 A M 0 0 197 0, 0.0 2,-0.4 0, 0.0 147,-0.0 0.000 360.0 360.0 360.0 146.3 77.4 36.0 77.6 2 325 A I + 0 0 14 3,-0.0 2,-0.2 2,-0.0 171,-0.1 -0.783 360.0 179.0 -90.8 133.0 73.9 37.3 77.7 3 326 A S >> - 0 0 47 -2,-0.4 3,-0.5 170,-0.1 4,-0.5 -0.605 46.9 -87.7-118.6-169.3 73.9 41.1 77.5 4 327 A Y T 34 S+ 0 0 115 -2,-0.2 5,-0.1 1,-0.2 -2,-0.0 0.559 118.3 67.6 -79.0 -9.1 71.2 43.8 77.5 5 328 A D T 34 S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 3,-0.0 0.769 87.2 66.1 -82.7 -27.3 70.9 43.5 73.7 6 329 A N T <4 S+ 0 0 70 -3,-0.5 2,-0.4 1,-0.1 51,-0.4 0.922 105.4 28.6 -62.3 -51.2 69.4 39.9 73.7 7 330 A Y S < S- 0 0 15 -4,-0.5 51,-0.2 49,-0.1 -1,-0.1 -0.922 75.5-123.2-123.4 145.2 66.1 40.6 75.3 8 331 A V E -a 58 0A 65 49,-1.2 51,-2.2 -2,-0.4 2,-0.6 -0.450 14.6-141.6 -83.4 147.4 63.8 43.5 75.5 9 332 A T E -a 59 0A 20 49,-0.2 2,-0.6 -2,-0.1 51,-0.2 -0.971 19.1-143.1-108.8 112.5 62.7 45.0 78.9 10 333 A I + 0 0 1 49,-2.2 63,-0.4 -2,-0.6 3,-0.1 -0.699 35.4 156.1 -83.6 116.5 59.0 46.0 78.6 11 334 A L + 0 0 65 -2,-0.6 2,-0.4 61,-0.1 -1,-0.1 0.291 55.9 62.3-120.3 2.5 58.3 49.2 80.5 12 335 A D S > S- 0 0 64 1,-0.1 4,-2.2 61,-0.1 3,-0.2 -0.993 73.2-130.6-136.2 146.5 55.2 50.4 78.7 13 336 A E H > S+ 0 0 70 -2,-0.4 4,-3.2 1,-0.2 5,-0.2 0.783 106.6 59.0 -54.6 -43.6 51.6 49.1 78.1 14 337 A E H > S+ 0 0 157 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.936 109.9 43.3 -55.9 -47.9 51.7 49.7 74.4 15 338 A T H > S+ 0 0 40 2,-0.2 4,-2.1 -3,-0.2 -2,-0.2 0.914 113.1 52.1 -66.1 -41.2 54.8 47.4 74.1 16 339 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.950 110.5 49.4 -58.7 -49.0 53.2 44.8 76.5 17 340 A K H X S+ 0 0 93 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.881 106.8 54.0 -58.7 -37.2 50.1 44.9 74.3 18 341 A A H X S+ 0 0 57 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.906 112.2 45.5 -64.7 -38.4 52.1 44.4 71.2 19 342 A W H X S+ 0 0 17 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.882 107.8 55.7 -70.8 -40.2 53.6 41.3 72.8 20 343 A I H X S+ 0 0 14 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.883 108.3 50.7 -58.8 -37.9 50.3 39.9 74.1 21 344 A A H X S+ 0 0 40 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.877 111.9 45.1 -67.6 -41.8 49.0 40.1 70.4 22 345 A K H >X S+ 0 0 89 -4,-1.5 4,-0.7 2,-0.2 3,-0.6 0.883 113.0 51.7 -68.4 -38.2 52.1 38.2 69.1 23 346 A L H >< S+ 0 0 2 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.858 102.6 60.7 -65.2 -37.6 51.7 35.6 72.0 24 347 A E H 3< S+ 0 0 121 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.762 110.5 40.0 -64.5 -23.1 48.1 35.1 71.1 25 348 A K H << S+ 0 0 162 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.541 90.6 109.0-105.5 -0.6 49.0 33.9 67.7 26 349 A A S << S- 0 0 24 -4,-0.7 66,-0.2 -3,-0.6 3,-0.1 -0.395 71.0-131.0 -75.5 144.5 52.0 31.8 68.6 27 350 A P S S- 0 0 115 0, 0.0 65,-0.4 0, 0.0 2,-0.3 0.914 89.9 -15.7 -60.5 -42.5 51.8 28.0 68.4 28 351 A V S S- 0 0 24 24,-0.2 2,-0.3 63,-0.1 65,-0.2 -0.936 70.3-160.3-151.8 158.4 53.3 27.7 71.9 29 352 A F E -b 93 0A 2 63,-1.5 65,-2.2 -2,-0.3 2,-0.3 -0.990 20.8-117.3-146.0 146.5 55.1 30.2 74.0 30 353 A A E -bC 94 51A 0 21,-2.4 21,-1.6 -2,-0.3 2,-0.4 -0.702 31.7-168.2 -83.0 143.0 57.4 29.9 77.0 31 354 A F E + C 0 50A 2 63,-2.7 2,-0.3 -2,-0.3 65,-0.3 -0.986 11.1 167.6-133.1 140.4 56.2 31.6 80.2 32 355 A D E - C 0 49A 19 17,-2.1 17,-2.6 -2,-0.4 2,-0.3 -0.994 17.8-151.9-152.1 147.6 58.1 32.3 83.5 33 356 A T E - C 0 48A 3 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.897 6.7-154.2-118.6 150.3 57.5 34.4 86.6 34 357 A E E + C 0 47A 15 13,-2.9 12,-3.1 -2,-0.3 13,-1.9 -0.978 22.4 173.6-120.6 144.3 60.1 36.0 88.9 35 358 A T E - C 0 45A 14 -2,-0.4 128,-0.7 10,-0.3 10,-0.2 -0.813 44.3-106.6-141.3 178.3 59.3 36.6 92.6 36 359 A D S S+ 0 0 43 8,-1.8 2,-0.3 -2,-0.2 9,-0.1 0.270 96.0 23.6 -94.5 13.9 60.7 37.8 95.9 37 360 A S - 0 0 42 7,-0.2 -1,-0.1 1,-0.1 6,-0.1 -0.959 61.0-130.1-171.6 152.1 60.8 34.3 97.5 38 361 A L S S+ 0 0 157 -2,-0.3 2,-1.1 -3,-0.1 -1,-0.1 0.674 85.6 99.1 -76.4 -21.1 60.8 30.6 97.0 39 362 A D > - 0 0 55 1,-0.2 4,-1.6 -3,-0.1 3,-0.4 -0.605 64.3-160.2 -71.6 105.7 57.9 30.3 99.4 40 363 A N T >4 S+ 0 0 22 -2,-1.1 3,-0.5 1,-0.2 -1,-0.2 0.893 81.7 50.3 -55.2 -53.8 55.0 30.0 97.0 41 364 A I T 34 S+ 0 0 26 1,-0.2 -1,-0.2 289,-0.0 -2,-0.1 0.838 123.9 30.6 -60.8 -29.9 52.1 31.1 99.2 42 365 A S T 34 S+ 0 0 40 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.486 91.0 113.7-110.0 -0.3 53.8 34.2 100.4 43 366 A A << - 0 0 1 -4,-1.6 2,-0.4 -3,-0.5 -5,-0.0 -0.349 57.0-141.1 -69.1 145.4 56.0 35.2 97.4 44 367 A N - 0 0 66 -2,-0.0 -8,-1.8 19,-0.0 2,-0.3 -0.937 21.5-112.3-108.9 138.9 55.1 38.3 95.6 45 368 A L E +C 35 0A 0 -2,-0.4 -10,-0.3 -10,-0.2 3,-0.1 -0.528 35.4 174.6 -68.7 128.5 55.4 38.5 91.8 46 369 A V E - 0 0 2 -12,-3.1 16,-3.1 1,-0.4 17,-2.7 0.669 61.6 -24.7-107.0 -30.8 58.2 40.8 90.8 47 370 A G E -CD 34 61A 0 -13,-1.9 -13,-2.9 14,-0.3 -1,-0.4 -0.987 51.6-131.1-171.9 171.3 58.1 40.2 87.1 48 371 A L E -CD 33 60A 0 12,-2.0 12,-3.6 -2,-0.3 2,-0.3 -0.970 14.1-160.0-135.0 151.9 57.2 37.9 84.2 49 372 A S E -CD 32 59A 0 -17,-2.6 -17,-2.1 -2,-0.3 2,-0.3 -0.960 6.2-173.6-135.0 147.1 59.1 36.7 81.1 50 373 A F E -CD 31 58A 2 8,-2.0 8,-2.3 -2,-0.3 2,-0.4 -0.950 9.9-162.3-135.5 154.5 57.9 35.3 77.7 51 374 A A E +CD 30 57A 0 -21,-1.6 -21,-2.4 -2,-0.3 6,-0.2 -0.971 9.0 176.9-139.7 118.9 59.6 33.8 74.7 52 375 A I E S+ 0 0 21 4,-2.0 -24,-0.2 -2,-0.4 5,-0.1 0.686 74.3 2.6 -94.4 -15.7 57.8 33.5 71.4 53 376 A E E > S- D 0 56A 119 3,-1.2 3,-3.0 -27,-0.1 -1,-0.3 -0.979 99.0 -68.4-164.5 153.2 60.6 32.1 69.4 54 377 A P T 3 S+ 0 0 67 0, 0.0 3,-0.1 0, 0.0 127,-0.1 -0.294 125.0 7.8 -54.4 116.3 64.2 31.0 70.0 55 378 A G T 3 S+ 0 0 40 1,-0.1 2,-0.7 -2,-0.1 125,-0.1 0.351 107.8 100.0 95.2 -6.1 66.1 34.2 70.7 56 379 A V E < + D 0 53A 48 -3,-3.0 -4,-2.0 124,-0.1 -3,-1.2 -0.863 49.5 133.1-117.0 95.4 63.0 36.4 70.9 57 380 A A E - D 0 51A 3 -2,-0.7 -49,-1.2 -51,-0.4 2,-0.3 -0.961 33.2-156.9-143.6 157.4 62.1 36.9 74.5 58 381 A A E -aD 8 50A 0 -8,-2.3 -8,-2.0 -2,-0.3 2,-0.5 -0.960 10.0-145.3-136.5 155.2 61.1 39.7 76.9 59 382 A Y E -aD 9 49A 0 -51,-2.2 -49,-2.2 -2,-0.3 -10,-0.2 -0.983 8.8-163.5-120.6 126.1 61.1 40.6 80.6 60 383 A I E - D 0 48A 1 -12,-3.6 -12,-2.0 -2,-0.5 2,-0.3 -0.907 10.6-160.1-110.7 95.5 58.2 42.6 82.0 61 384 A P E + D 0 47A 0 0, 0.0 12,-0.5 0, 0.0 -14,-0.3 -0.649 21.8 162.7 -74.8 136.0 59.4 44.0 85.5 62 385 A V + 0 0 13 -16,-3.1 13,-0.5 -2,-0.3 -15,-0.2 0.628 69.1 27.8-125.3 -25.5 56.4 45.0 87.6 63 386 A A + 0 0 22 -17,-2.7 2,-0.4 11,-0.1 -16,-0.1 -0.091 67.2 137.2-133.6 37.9 57.7 45.2 91.2 64 387 A H + 0 0 8 -18,-0.2 101,-0.2 6,-0.1 100,-0.1 -0.724 21.8 172.3 -79.1 133.5 61.4 46.1 91.4 65 388 A D + 0 0 110 99,-2.0 100,-0.1 -2,-0.4 3,-0.1 0.016 19.0 137.1-137.4 31.5 61.7 48.6 94.1 66 389 A Y S > S- 0 0 63 98,-0.6 3,-1.9 100,-0.2 2,-0.1 -0.257 75.8 -60.4 -69.6 167.9 65.3 49.3 94.8 67 390 A L T 3 S- 0 0 144 1,-0.3 -1,-0.2 98,-0.1 -2,-0.0 -0.330 124.0 -1.7 -56.0 121.1 66.4 52.9 95.3 68 391 A D T 3 S+ 0 0 138 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.676 82.8 175.5 67.9 25.5 65.5 54.9 92.1 69 392 A A < - 0 0 26 -3,-1.9 -1,-0.2 1,-0.1 3,-0.1 -0.359 36.6-107.9 -59.0 137.1 64.1 51.9 90.1 70 393 A P - 0 0 64 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 -0.168 46.8 -77.2 -62.8 161.1 62.7 53.2 86.8 71 394 A D - 0 0 152 -3,-0.1 2,-0.3 1,-0.0 3,-0.0 -0.275 55.3-172.1 -59.8 149.1 59.0 53.3 86.2 72 395 A Q - 0 0 38 -10,-0.1 -61,-0.1 -3,-0.1 -10,-0.1 -0.949 36.4 -89.7-140.3 156.4 57.4 49.9 85.4 73 396 A I - 0 0 13 -12,-0.5 2,-0.1 -63,-0.4 -61,-0.1 -0.457 61.8-104.2 -61.7 141.0 54.0 48.8 84.3 74 397 A S > - 0 0 65 1,-0.1 4,-2.7 -11,-0.1 5,-0.3 -0.406 19.3-119.1 -71.3 153.0 52.2 48.1 87.7 75 398 A R H > S+ 0 0 70 -13,-0.5 4,-2.4 1,-0.2 5,-0.2 0.909 114.9 49.1 -56.2 -42.2 51.7 44.6 88.9 76 399 A E H > S+ 0 0 129 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.863 113.4 45.0 -67.1 -37.8 48.0 45.0 88.8 77 400 A R H > S+ 0 0 64 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.865 112.9 50.0 -74.9 -38.0 47.9 46.5 85.3 78 401 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.947 112.8 48.4 -65.3 -45.5 50.3 43.9 83.8 79 402 A L H X S+ 0 0 7 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.837 109.6 50.0 -65.6 -36.5 48.2 41.1 85.3 80 403 A E H < S+ 0 0 115 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.883 114.8 45.3 -71.4 -32.1 44.8 42.4 84.1 81 404 A L H < S+ 0 0 32 -4,-1.7 4,-0.4 1,-0.2 -2,-0.2 0.893 121.0 39.2 -73.5 -38.9 46.2 42.7 80.6 82 405 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.707 94.5 87.0 -83.9 -20.6 47.9 39.3 80.8 83 406 A K H X S+ 0 0 75 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.849 85.0 51.2 -49.3 -49.5 45.1 37.5 82.6 84 407 A P H 4 S+ 0 0 79 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.935 113.4 44.9 -56.4 -48.1 43.0 36.5 79.5 85 408 A L H >4 S+ 0 0 3 -4,-0.4 3,-0.6 -3,-0.2 6,-0.2 0.875 114.8 48.7 -62.0 -43.5 46.0 34.9 77.7 86 409 A L H 3< S+ 0 0 0 -4,-2.3 27,-2.6 1,-0.2 -1,-0.2 0.887 114.2 44.9 -66.5 -39.6 47.1 33.1 80.9 87 410 A E T 3< S+ 0 0 49 -4,-2.4 2,-0.8 -5,-0.2 -1,-0.2 0.386 87.2 106.5 -86.4 1.1 43.7 31.7 81.7 88 411 A D X - 0 0 68 -3,-0.6 3,-1.4 -4,-0.4 25,-0.1 -0.759 56.2-160.5 -85.4 110.6 43.0 30.6 78.1 89 412 A E T 3 S+ 0 0 117 -2,-0.8 -1,-0.2 1,-0.3 -4,-0.0 0.784 92.4 60.3 -59.5 -25.7 43.3 26.8 78.0 90 413 A K T 3 S+ 0 0 151 1,-0.1 2,-1.0 2,-0.1 -1,-0.3 0.704 85.1 81.6 -76.4 -23.9 43.8 27.2 74.2 91 414 A A S < S- 0 0 14 -3,-1.4 2,-0.4 -6,-0.2 -63,-0.1 -0.780 81.9-143.8 -86.1 104.7 46.9 29.4 74.6 92 415 A L - 0 0 65 -2,-1.0 -63,-1.5 -65,-0.4 2,-0.3 -0.581 15.0-159.3 -77.2 126.5 49.6 26.7 75.2 93 416 A K E -be 29 115A 0 21,-3.1 24,-2.3 -2,-0.4 23,-0.6 -0.793 10.5-161.9-110.4 146.6 52.4 27.4 77.6 94 417 A V E +be 30 117A 0 -65,-2.2 -63,-2.7 -2,-0.3 2,-0.3 -0.943 26.4 150.8-116.4 141.2 55.9 25.9 78.0 95 418 A G E - e 0 118A 0 22,-1.7 24,-1.9 -2,-0.4 2,-0.7 -0.981 48.4-108.2-164.4 164.6 57.8 26.4 81.2 96 419 A Q S S- 0 0 30 -2,-0.3 5,-0.1 -65,-0.3 4,-0.1 -0.922 105.6 -8.2-102.1 112.3 60.4 24.9 83.6 97 420 A N S >> S- 0 0 51 -2,-0.7 3,-1.2 1,-0.1 4,-0.8 0.988 74.2-175.8 62.6 60.4 58.6 23.6 86.7 98 421 A L H 3> S+ 0 0 0 -3,-0.4 4,-2.5 1,-0.3 5,-0.2 0.597 71.3 79.6 -61.2 -16.1 55.3 25.2 85.8 99 422 A K H 3> S+ 0 0 23 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.927 94.1 47.7 -58.3 -45.0 54.0 24.0 89.2 100 423 A Y H <> S+ 0 0 48 -3,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.932 113.9 45.7 -62.0 -47.1 55.7 27.0 90.8 101 424 A D H X S+ 0 0 2 -4,-0.8 4,-2.0 1,-0.2 -2,-0.2 0.839 107.5 55.9 -66.0 -39.6 54.4 29.6 88.3 102 425 A R H X S+ 0 0 7 -4,-2.5 4,-1.5 1,-0.2 10,-0.3 0.911 109.8 49.2 -60.0 -39.9 50.8 28.3 88.4 103 426 A G H X S+ 0 0 0 -4,-1.5 4,-1.0 -5,-0.2 -2,-0.2 0.902 106.3 53.2 -66.9 -46.4 50.9 28.9 92.1 104 427 A I H >< S+ 0 0 0 -4,-1.8 3,-1.1 1,-0.2 -1,-0.2 0.928 110.1 48.5 -54.9 -46.8 52.3 32.4 92.0 105 428 A L H ><>S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.3 5,-1.6 0.849 103.3 62.0 -64.5 -32.6 49.5 33.5 89.6 106 429 A A H ><5S+ 0 0 24 -4,-1.5 3,-1.6 1,-0.3 -1,-0.3 0.763 88.6 70.2 -65.0 -23.8 47.0 31.9 91.9 107 430 A N T <<5S+ 0 0 43 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.574 104.5 43.9 -67.1 -9.3 48.1 34.4 94.6 108 431 A Y T < 5S- 0 0 53 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.109 124.1 -98.6-121.8 20.1 46.3 36.9 92.4 109 432 A G T < 5S+ 0 0 54 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.796 81.7 133.2 69.4 25.9 43.2 35.1 91.6 110 433 A I < - 0 0 3 -5,-1.6 2,-0.7 -8,-0.1 -1,-0.2 -0.949 45.8-152.4-112.6 129.9 44.5 33.9 88.2 111 434 A E - 0 0 58 -2,-0.4 2,-0.3 -28,-0.1 -8,-0.1 -0.891 15.6-142.5-103.6 102.3 44.1 30.3 87.1 112 435 A L + 0 0 5 -2,-0.7 -25,-0.2 -10,-0.3 2,-0.2 -0.500 28.9 175.3 -65.0 119.9 46.9 29.4 84.6 113 436 A R + 0 0 109 -27,-2.6 -25,-0.2 -2,-0.3 3,-0.2 -0.660 52.1 56.8-117.7 177.9 45.5 27.1 82.0 114 437 A G + 0 0 13 -2,-0.2 -21,-3.1 1,-0.2 2,-2.4 0.837 60.6 167.2 67.5 29.0 47.0 25.7 78.9 115 438 A I E +e 93 0A 25 -3,-0.2 -1,-0.2 1,-0.2 96,-0.1 -0.512 16.2 147.3 -76.4 78.3 49.7 24.2 81.1 116 439 A A E + 0 0 26 -2,-2.4 2,-0.4 -23,-0.6 -1,-0.2 0.858 51.2 28.5 -88.1 -38.9 50.9 22.0 78.2 117 440 A F E -e 94 0A 24 -24,-2.3 -22,-1.7 -3,-0.3 2,-0.5 -0.985 46.9-178.7-136.9 131.7 54.6 21.6 78.5 118 441 A D E >> -e 95 0A 1 -2,-0.4 4,-1.9 -24,-0.2 3,-0.6 -0.976 16.9-155.2-124.6 112.2 57.0 21.5 81.4 119 442 A T H 3> S+ 0 0 0 -24,-1.9 4,-2.4 -2,-0.5 -23,-0.2 0.781 94.8 59.5 -59.4 -27.9 60.6 21.0 80.2 120 443 A M H 3> S+ 0 0 27 -25,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.906 111.3 41.2 -64.4 -42.6 61.5 19.5 83.6 121 444 A L H <> S+ 0 0 0 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.758 109.7 57.9 -76.9 -27.9 58.9 16.8 83.0 122 445 A E H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.976 111.8 43.2 -64.0 -50.6 59.9 16.4 79.3 123 446 A S H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.939 112.0 53.2 -57.5 -51.3 63.4 15.6 80.5 124 447 A Y H < S+ 0 0 3 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.841 112.5 43.5 -53.5 -43.4 62.2 13.3 83.3 125 448 A I H < S+ 0 0 8 -4,-1.9 371,-0.3 2,-0.2 -1,-0.2 0.810 107.4 58.8 -76.1 -30.9 60.1 11.2 81.1 126 449 A L H < S- 0 0 32 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.938 139.5 -20.6 -62.1 -45.5 62.7 11.0 78.3 127 450 A N >< - 0 0 41 -4,-2.1 3,-2.5 -5,-0.2 4,-0.4 -0.527 57.7-158.9-168.3 96.9 65.0 9.4 80.9 128 451 A S T 3 S+ 0 0 10 368,-0.5 3,-0.2 -4,-0.4 -3,-0.1 0.697 96.4 43.8 -51.3 -24.1 64.5 9.8 84.6 129 452 A V T 3 S+ 0 0 64 1,-0.1 -1,-0.3 210,-0.1 3,-0.1 0.225 76.2 104.3-111.5 17.6 68.1 9.0 85.3 130 453 A A S < S- 0 0 52 -3,-2.5 2,-0.3 1,-0.2 -1,-0.1 0.846 97.8 -82.0 -64.4 -32.1 70.0 11.0 82.6 131 454 A G S S- 0 0 33 -4,-0.4 -1,-0.2 -3,-0.2 -4,-0.1 -0.957 78.9 -14.7 157.7-163.7 71.0 13.5 85.3 132 455 A R - 0 0 173 -2,-0.3 205,-0.1 1,-0.1 -3,-0.0 -0.324 50.1-147.7 -65.5 147.7 69.4 16.4 87.1 133 456 A H + 0 0 16 203,-0.3 -10,-0.1 4,-0.1 -9,-0.1 0.129 56.0 118.3-106.2 20.1 66.3 17.9 85.5 134 457 A D S > S- 0 0 35 1,-0.1 4,-3.1 -38,-0.0 3,-0.2 -0.453 78.3-105.8 -80.7 160.1 66.7 21.5 86.4 135 458 A M H > S+ 0 0 10 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.806 116.8 52.5 -57.5 -35.0 67.1 24.1 83.7 136 459 A D H > S+ 0 0 56 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.903 113.3 42.6 -71.5 -39.0 70.8 24.7 84.1 137 460 A S H > S+ 0 0 25 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.944 117.1 50.2 -69.5 -44.3 71.6 21.0 83.9 138 461 A L H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.5 0.905 109.2 49.2 -58.1 -48.1 69.2 20.8 81.0 139 462 A A H X S+ 0 0 0 -4,-3.0 6,-1.7 1,-0.2 4,-1.6 0.873 113.5 47.5 -60.2 -41.0 70.6 23.8 79.1 140 463 A E H < S+ 0 0 100 -4,-1.6 4,-0.5 4,-0.2 -1,-0.2 0.875 116.7 42.7 -70.2 -35.0 74.1 22.4 79.4 141 464 A R H < S+ 0 0 78 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.952 128.7 23.9 -77.6 -50.2 73.1 18.9 78.4 142 465 A W H < S+ 0 0 58 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.694 135.0 29.3 -90.6 -25.4 70.8 19.7 75.4 143 466 A L S < S- 0 0 27 -4,-1.6 -3,-0.2 -5,-0.5 -2,-0.1 0.481 89.0-130.3-115.0 -6.0 72.0 23.1 74.3 144 467 A K S S+ 0 0 170 -4,-0.5 2,-0.4 -5,-0.4 -4,-0.2 0.860 70.0 127.6 55.7 37.4 75.7 23.1 75.2 145 468 A H - 0 0 58 -6,-1.7 2,-0.6 -9,-0.1 -1,-0.2 -0.979 57.2-141.5-129.9 131.0 74.9 26.4 76.9 146 469 A K - 0 0 156 -2,-0.4 2,-0.1 -3,-0.1 -10,-0.1 -0.854 25.1-143.5 -95.0 120.7 75.6 27.6 80.4 147 470 A T - 0 0 13 -2,-0.6 2,-0.4 -11,-0.2 27,-0.1 -0.343 24.4 -93.6 -82.6 158.6 72.7 29.6 81.9 148 471 A I - 0 0 5 25,-0.2 2,-0.2 26,-0.1 -1,-0.1 -0.621 46.9-136.6 -71.2 128.8 72.8 32.6 84.2 149 472 A T > - 0 0 38 -2,-0.4 4,-1.1 1,-0.1 3,-0.4 -0.489 13.0-121.6 -87.8 153.5 72.5 31.3 87.7 150 473 A F H >> S+ 0 0 55 1,-0.2 4,-2.8 2,-0.2 3,-0.9 0.951 116.5 55.5 -59.7 -43.0 70.3 32.8 90.4 151 474 A E H 3> S+ 0 0 81 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.816 100.6 62.0 -57.8 -31.0 73.4 33.2 92.6 152 475 A E H 34 S+ 0 0 130 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.848 116.1 27.2 -67.0 -35.2 75.0 35.2 89.7 153 476 A I H << S+ 0 0 18 -4,-1.1 -2,-0.2 -3,-0.9 -1,-0.2 0.737 131.7 36.3 -97.3 -26.6 72.4 38.0 89.7 154 477 A A H < S- 0 0 5 -4,-2.8 7,-3.2 1,-0.3 -3,-0.2 0.711 98.5-131.9-100.1 -23.1 71.3 37.8 93.4 155 478 A G < - 0 0 31 -4,-2.0 -1,-0.3 -5,-0.4 2,-0.3 -0.583 27.4 -77.7 100.1-169.4 74.5 37.0 95.3 156 479 A K S > S+ 0 0 165 -2,-0.2 3,-0.7 -4,-0.1 -4,-0.0 -0.860 72.4 5.0-133.3 164.1 75.1 34.3 97.9 157 480 A G G > S- 0 0 61 -2,-0.3 3,-2.5 1,-0.2 0, 0.0 0.026 111.9 -25.4 61.7-167.5 74.5 33.6 101.6 158 481 A K G 3 S+ 0 0 215 1,-0.3 -1,-0.2 0, 0.0 0, 0.0 0.655 136.1 57.0 -53.1 -21.2 72.6 35.7 104.1 159 482 A N G < S+ 0 0 157 -3,-0.7 -1,-0.3 2,-0.0 -2,-0.2 0.274 77.2 134.1 -97.2 13.0 73.3 38.9 102.1 160 483 A Q < - 0 0 71 -3,-2.5 -5,-0.2 -5,-0.1 2,-0.1 -0.332 55.8-119.8 -63.8 139.3 71.7 37.5 98.9 161 484 A L - 0 0 62 -7,-3.2 2,-0.3 -2,-0.1 -1,-0.1 -0.371 14.4-129.8 -78.7 152.5 69.3 39.9 97.1 162 485 A T > - 0 0 54 -2,-0.1 3,-2.3 1,-0.1 4,-0.3 -0.764 36.1-102.5 -94.3 157.4 65.7 39.2 96.5 163 486 A F G > S+ 0 0 1 -128,-0.7 3,-1.4 -2,-0.3 -127,-0.1 0.752 117.4 63.5 -50.7 -34.1 64.5 39.7 92.9 164 487 A N G 3 S+ 0 0 21 1,-0.3 -99,-2.0 -100,-0.1 -98,-0.6 0.637 101.3 54.2 -67.4 -13.8 62.8 43.1 93.5 165 488 A Q G < S+ 0 0 84 -3,-2.3 2,-0.3 -101,-0.2 -1,-0.3 0.452 86.8 99.2 -97.4 -8.0 66.2 44.5 94.5 166 489 A I S < S- 0 0 4 -3,-1.4 -100,-0.2 -4,-0.3 -12,-0.1 -0.641 85.9 -99.4 -84.5 138.7 68.0 43.5 91.3 167 490 A A > - 0 0 47 -2,-0.3 4,-2.9 1,-0.1 3,-0.3 -0.283 33.8-113.7 -56.4 144.1 68.4 46.1 88.6 168 491 A L H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.862 112.9 43.6 -44.0 -55.2 65.9 45.9 85.7 169 492 A E H > S+ 0 0 73 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.819 114.5 49.2 -66.6 -35.5 68.3 44.9 83.0 170 493 A E H > S+ 0 0 56 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.933 113.1 46.9 -69.0 -45.4 70.2 42.4 85.1 171 494 A A H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.904 110.6 56.4 -59.6 -40.3 66.9 40.8 86.1 172 495 A G H X S+ 0 0 4 -4,-2.4 4,-3.0 -5,-0.3 5,-0.5 0.921 103.0 51.3 -57.3 -49.9 65.9 41.0 82.5 173 496 A R H X S+ 0 0 27 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.914 116.3 41.9 -54.3 -48.1 69.0 38.9 81.3 174 497 A Y H X S+ 0 0 33 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.950 119.7 41.6 -64.9 -50.9 68.2 36.2 83.8 175 498 A A H X S+ 0 0 0 -4,-3.0 4,-1.7 2,-0.2 -2,-0.2 0.886 116.4 46.1 -67.8 -45.7 64.4 36.1 83.4 176 499 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 -5,-0.2 -1,-0.2 0.841 111.2 54.0 -67.4 -36.0 64.3 36.4 79.5 177 500 A E H X S+ 0 0 2 -4,-1.4 4,-3.1 -5,-0.5 5,-0.4 0.887 104.8 54.8 -63.2 -40.9 67.0 33.7 79.2 178 501 A D H X S+ 0 0 16 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.943 112.6 43.1 -55.7 -50.7 64.9 31.3 81.4 179 502 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.942 117.2 46.4 -61.5 -45.2 62.0 31.8 79.0 180 503 A D H X S+ 0 0 9 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.964 114.7 44.5 -63.7 -55.9 64.2 31.5 75.9 181 504 A V H X S+ 0 0 1 -4,-3.1 4,-3.3 1,-0.2 5,-0.2 0.912 110.8 56.5 -55.9 -44.3 66.2 28.5 77.0 182 505 A T H X S+ 0 0 4 -4,-2.4 4,-1.9 -5,-0.4 -1,-0.2 0.907 109.3 45.1 -56.2 -44.3 63.0 26.8 78.2 183 506 A L H X S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.888 113.3 49.7 -67.9 -40.1 61.5 27.2 74.7 184 507 A Q H X S+ 0 0 58 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.949 110.3 51.5 -63.4 -44.4 64.7 26.0 73.0 185 508 A L H X S+ 0 0 0 -4,-3.3 4,-2.7 1,-0.2 5,-0.2 0.878 110.0 49.4 -58.0 -41.4 64.7 23.0 75.3 186 509 A H H X S+ 0 0 5 -4,-1.9 4,-3.1 -5,-0.2 -1,-0.2 0.908 107.1 54.5 -64.8 -42.9 61.1 22.2 74.4 187 510 A L H < S+ 0 0 76 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.803 115.6 40.3 -60.7 -31.8 61.9 22.4 70.7 188 511 A K H X S+ 0 0 114 -4,-1.6 4,-0.9 -5,-0.1 -2,-0.2 0.871 123.7 36.6 -83.3 -40.9 64.7 19.9 71.2 189 512 A M H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.848 106.3 61.7 -84.1 -39.4 62.8 17.5 73.6 190 513 A W H < S+ 0 0 54 -4,-3.1 4,-0.2 -5,-0.2 -1,-0.2 0.907 104.7 49.1 -55.8 -46.2 59.3 17.5 72.4 191 514 A P H >4 S+ 0 0 69 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.954 113.7 48.6 -58.9 -44.6 60.2 16.0 69.0 192 515 A D H >< S+ 0 0 57 -4,-0.9 3,-2.2 1,-0.3 4,-0.2 0.896 98.0 67.1 -58.6 -45.8 62.2 13.4 70.8 193 516 A L T 3< S+ 0 0 2 -4,-2.8 -1,-0.3 1,-0.3 3,-0.2 0.484 96.0 61.0 -57.6 0.4 59.4 12.5 73.3 194 517 A Q T < S+ 0 0 71 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.571 72.4 87.7-106.4 -11.1 57.4 11.2 70.2 195 518 A K S < S+ 0 0 145 -3,-2.2 2,-0.3 -4,-0.3 -1,-0.2 0.613 99.9 37.9 -62.1 -11.4 59.8 8.4 69.1 196 519 A H > - 0 0 81 -4,-0.2 4,-1.8 -3,-0.2 -1,-0.2 -0.901 65.5-153.2-148.8 120.5 57.8 6.2 71.6 197 520 A K H > S+ 0 0 148 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.688 92.1 66.3 -63.0 -19.7 54.1 6.2 72.5 198 521 A G H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.989 107.5 32.8 -66.1 -65.9 54.9 4.9 76.0 199 522 A P H > S+ 0 0 6 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.866 116.8 59.2 -60.1 -35.2 56.7 7.8 77.5 200 523 A L H X S+ 0 0 20 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.938 105.9 49.1 -60.0 -42.5 54.6 10.2 75.4 201 524 A N H X S+ 0 0 50 -4,-1.8 4,-2.3 1,-0.2 5,-0.3 0.886 112.7 45.5 -63.8 -44.5 51.5 8.7 77.1 202 525 A V H X>S+ 0 0 0 -4,-1.9 5,-2.8 2,-0.2 4,-1.9 0.919 114.7 48.2 -64.4 -44.8 52.9 9.1 80.6 203 526 A F H <>S+ 0 0 2 -4,-2.9 5,-2.7 3,-0.2 -2,-0.2 0.942 118.9 39.8 -60.4 -49.8 54.1 12.7 79.9 204 527 A E H <5S+ 0 0 90 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.793 128.9 23.7 -70.3 -43.4 50.7 13.7 78.4 205 528 A N H <5S+ 0 0 88 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.540 133.5 25.9-106.7 -8.2 48.2 12.0 80.6 206 529 A I T X5S+ 0 0 2 -4,-1.9 4,-1.1 -5,-0.3 -3,-0.2 0.721 123.9 33.7-117.2 -59.0 50.0 11.5 83.9 207 530 A E H >4 S+ 0 0 46 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.825 105.7 60.1 -62.6 -24.5 48.0 17.0 84.2 210 533 A L H 3X S+ 0 0 0 -4,-1.1 4,-2.4 1,-0.2 5,-0.3 0.650 83.9 84.2 -74.7 -17.2 49.5 16.4 87.7 211 534 A V H S+ 0 0 23 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.785 113.8 57.7 -70.1 -23.3 48.4 22.0 88.7 213 536 A V H X S+ 0 0 2 -4,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.912 106.4 48.3 -73.3 -35.4 47.2 19.3 91.2 214 537 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.865 109.3 54.5 -66.7 -38.8 50.5 19.2 93.0 215 538 A S H X S+ 0 0 2 -4,-1.5 4,-2.4 -5,-0.3 -1,-0.2 0.943 110.7 45.7 -56.8 -49.3 50.4 23.1 93.1 216 539 A R H X S+ 0 0 40 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.838 112.9 49.3 -63.7 -37.5 47.0 22.9 94.8 217 540 A I H X S+ 0 0 3 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.955 114.1 45.9 -68.3 -47.5 48.1 20.2 97.3 218 541 A E H < S+ 0 0 29 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.884 114.6 46.4 -60.7 -45.5 51.2 22.1 98.3 219 542 A R H < S+ 0 0 41 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.786 107.7 58.0 -70.2 -28.1 49.4 25.4 98.6 220 543 A N H < S- 0 0 46 -4,-1.6 -2,-0.2 330,-0.2 -1,-0.2 0.933 90.9-178.3 -65.7 -46.0 46.6 23.8 100.6 221 544 A G < - 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L 0 590F 2 176,-2.1 3,-1.1 -2,-0.3 210,-0.2 -0.859 35.5-128.4 -91.8 104.8 45.8 1.4 98.1 381 707 A S T 3 S- 0 0 9 208,-2.0 208,-0.3 -2,-0.9 5,-0.2 -0.418 74.8 -31.7 -60.8 122.5 46.2 -1.9 100.0 382 708 A Q T >> S+ 0 0 60 -2,-0.2 4,-2.0 1,-0.1 3,-0.9 0.742 78.1 172.1 28.3 53.9 49.5 -3.5 99.0 383 709 A I H <> S+ 0 0 1 -3,-1.1 4,-2.4 1,-0.3 5,-0.2 0.867 71.5 57.4 -53.7 -40.2 49.3 -2.1 95.5 384 710 A E H 3> S+ 0 0 14 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.838 108.0 46.7 -63.0 -34.9 52.8 -3.3 94.6 385 711 A L H <> S+ 0 0 4 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.854 111.4 50.7 -74.4 -37.8 51.9 -6.9 95.4 386 712 A R H X S+ 0 0 20 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.873 110.1 51.3 -66.5 -35.6 48.7 -6.7 93.4 387 713 A I H X S+ 0 0 0 -4,-2.4 4,-3.1 -5,-0.2 -2,-0.2 0.912 108.4 50.7 -67.2 -42.3 50.7 -5.3 90.5 388 714 A M H X S+ 0 0 4 -4,-1.8 4,-1.7 1,-0.2 6,-0.3 0.901 107.4 54.4 -61.9 -39.3 53.1 -8.2 90.8 389 715 A A H <>S+ 0 0 0 -4,-2.1 5,-1.2 2,-0.2 9,-0.2 0.914 113.2 42.3 -58.9 -45.2 50.2 -10.6 90.7 390 716 A H H ><5S+ 0 0 55 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.944 113.5 51.5 -67.2 -47.4 49.0 -9.0 87.5 391 717 A L H 3<5S+ 0 0 25 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.716 113.8 44.7 -62.1 -24.9 52.5 -8.8 86.0 392 718 A S T 3<5S- 0 0 4 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.372 98.3-137.3-100.8 1.6 53.1 -12.4 86.7 393 719 A R T < 5 + 0 0 184 -3,-1.5 2,-0.7 -4,-0.2 -3,-0.2 0.742 42.8 167.4 46.6 29.9 49.7 -13.6 85.4 394 720 A D >< - 0 0 9 -5,-1.2 4,-2.8 -6,-0.3 5,-0.2 -0.655 30.3-162.5 -81.0 112.9 49.6 -15.9 88.5 395 721 A K H > S+ 0 0 167 -2,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.752 88.6 60.4 -64.3 -24.4 46.1 -17.3 89.1 396 722 A G H > S+ 0 0 26 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.985 113.3 32.7 -67.6 -58.6 47.1 -18.2 92.6 397 723 A L H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.957 118.4 55.1 -62.2 -50.5 47.9 -14.7 93.7 398 724 A L H X S+ 0 0 53 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.885 111.2 45.2 -52.2 -40.9 45.2 -13.3 91.5 399 725 A T H X S+ 0 0 49 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.902 107.9 56.7 -72.4 -37.6 42.6 -15.6 93.1 400 726 A A H <>S+ 0 0 3 -4,-2.2 5,-2.4 1,-0.2 3,-0.3 0.964 113.6 41.0 -57.0 -48.5 43.9 -14.8 96.7 401 727 A F H ><5S+ 0 0 13 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.911 111.2 58.9 -64.7 -40.2 43.2 -11.1 96.0 402 728 A A H 3<5S+ 0 0 84 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.835 109.8 41.0 -59.5 -39.1 40.0 -11.9 94.2 403 729 A E T 3<5S- 0 0 122 -4,-2.4 -1,-0.3 -3,-0.3 -2,-0.2 0.310 115.4-112.3 -95.8 14.2 38.5 -13.7 97.2 404 730 A G T < 5 + 0 0 67 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.746 62.0 153.7 67.5 26.2 39.7 -11.1 99.7 405 731 A K < - 0 0 78 -5,-2.4 2,-0.7 -6,-0.2 -1,-0.2 -0.449 57.6 -97.9 -85.1 160.1 42.2 -13.3 101.5 406 732 A D > - 0 0 56 1,-0.2 4,-2.8 -2,-0.1 3,-0.4 -0.717 33.4-149.5 -72.0 110.8 45.3 -12.0 103.2 407 733 A I H > S+ 0 0 2 -2,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.780 93.6 56.0 -59.1 -28.2 47.9 -12.6 100.5 408 734 A H H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.900 114.0 38.8 -70.4 -37.7 50.6 -13.2 103.1 409 735 A R H > S+ 0 0 64 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.837 116.1 52.8 -77.3 -35.3 48.7 -15.9 104.8 410 736 A A H X S+ 0 0 5 -4,-2.8 4,-0.7 2,-0.2 -2,-0.2 0.941 112.3 45.8 -63.4 -44.2 47.5 -17.2 101.4 411 737 A T H >X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 3,-0.6 0.883 112.1 50.4 -64.8 -42.7 51.1 -17.4 100.3 412 738 A A H 3X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.4 0.896 105.4 57.3 -63.9 -39.4 52.2 -19.0 103.6 413 739 A A H 3<>S+ 0 0 15 -4,-2.5 5,-1.6 1,-0.2 -1,-0.2 0.706 115.1 37.6 -65.3 -20.7 49.4 -21.7 103.1 414 740 A E H <<5S+ 0 0 80 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.804 117.8 47.0 -96.9 -42.7 50.9 -22.6 99.7 415 741 A V H <5S+ 0 0 3 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.814 128.1 28.4 -68.9 -33.2 54.6 -22.3 100.5 416 742 A F T <5S- 0 0 57 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.2 0.507 107.3-127.9-105.4 -6.6 54.2 -24.3 103.8 417 743 A G T 5 + 0 0 59 -5,-0.4 -3,-0.2 1,-0.2 -4,-0.1 0.983 59.9 117.9 59.9 69.4 51.2 -26.3 102.6 418 744 A L < - 0 0 41 -5,-1.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.973 68.8 -72.4-155.3 162.8 48.5 -25.9 105.3 419 745 A P > - 0 0 74 0, 0.0 4,-0.9 0, 0.0 3,-0.2 -0.235 40.5-123.3 -60.6 148.3 45.0 -24.6 105.7 420 746 A L T >4 S+ 0 0 41 1,-0.2 3,-0.5 2,-0.2 -8,-0.0 0.844 109.4 57.0 -61.4 -35.9 44.6 -20.8 105.6 421 747 A E T 34 S+ 0 0 153 1,-0.2 -1,-0.2 -8,-0.0 -12,-0.0 0.893 108.2 47.5 -66.2 -34.8 42.9 -20.8 109.0 422 748 A T T 34 S+ 0 0 78 -3,-0.2 -1,-0.2 2,-0.0 -2,-0.2 0.612 75.6 126.4 -83.3 -12.3 45.8 -22.5 110.7 423 749 A V << - 0 0 8 -4,-0.9 2,-0.1 -3,-0.5 -10,-0.1 -0.254 55.2-136.9 -54.1 124.2 48.7 -20.4 109.2 424 750 A T > - 0 0 66 1,-0.1 4,-2.1 -12,-0.1 5,-0.2 -0.281 18.9-106.7 -76.0 167.9 50.7 -19.2 112.2 425 751 A S H > S+ 0 0 97 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.817 120.8 51.8 -67.3 -30.2 52.2 -15.7 112.8 426 752 A E H > S+ 0 0 120 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.806 109.7 48.6 -75.7 -32.5 55.6 -17.0 112.1 427 753 A Q H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.855 111.8 49.9 -73.6 -37.9 54.6 -18.5 108.8 428 754 A R H X S+ 0 0 61 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.883 109.9 50.7 -65.7 -41.9 52.8 -15.3 107.8 429 755 A R H X S+ 0 0 141 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.806 111.1 49.4 -66.0 -30.7 55.9 -13.3 108.6 430 756 A S H X S+ 0 0 7 -4,-1.2 4,-1.4 2,-0.2 -2,-0.2 0.867 112.0 46.3 -75.7 -41.3 58.0 -15.7 106.5 431 757 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.856 111.5 53.8 -68.3 -35.9 55.7 -15.5 103.5 432 758 A K H X S+ 0 0 49 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.876 107.1 49.6 -66.0 -41.6 55.5 -11.7 103.9 433 759 A A H X S+ 0 0 28 -4,-1.5 4,-0.8 2,-0.2 -1,-0.2 0.863 113.3 48.1 -65.1 -38.8 59.3 -11.4 103.8 434 760 A I H X S+ 0 0 1 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.968 113.2 47.3 -64.7 -55.0 59.4 -13.5 100.6 435 761 A N H >X S+ 0 0 3 -4,-2.9 4,-1.2 1,-0.3 3,-0.8 0.951 118.0 38.4 -52.6 -61.3 56.6 -11.5 99.0 436 762 A F H 3X S+ 0 0 67 -4,-2.6 4,-1.1 1,-0.3 -1,-0.3 0.703 112.6 60.9 -68.2 -13.5 58.0 -8.1 99.7 437 763 A G H 3<>S+ 0 0 13 -4,-0.8 5,-2.8 -5,-0.3 -1,-0.3 0.814 99.6 54.6 -80.3 -30.7 61.5 -9.5 99.0 438 764 A L H X<5S+ 0 0 2 -4,-1.9 3,-1.3 -3,-0.8 -2,-0.2 0.858 102.2 58.2 -68.5 -35.3 60.5 -10.4 95.4 439 765 A I H 3<5S+ 0 0 0 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.903 112.0 39.4 -61.4 -42.3 59.4 -6.8 94.8 440 766 A Y T 3<5S- 0 0 112 -4,-1.1 -1,-0.3 78,-0.1 -2,-0.2 0.261 114.4-120.9 -92.0 13.7 62.8 -5.5 95.6 441 767 A G T < 5 - 0 0 15 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.759 46.9-177.8 52.2 34.5 64.3 -8.5 93.8 442 768 A M < - 0 0 79 -5,-2.8 -1,-0.2 -6,-0.1 2,-0.1 -0.275 23.7-113.0 -69.3 147.8 66.2 -9.7 96.9 443 769 A S > - 0 0 60 1,-0.1 4,-2.7 -2,-0.0 5,-0.2 -0.343 25.7-111.2 -75.1 154.5 68.5 -12.8 97.1 444 770 A A H > S+ 0 0 8 1,-0.3 4,-1.6 2,-0.2 13,-0.1 0.816 124.0 50.7 -55.5 -30.4 67.8 -16.0 99.1 445 771 A F H > S+ 0 0 100 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.891 108.0 51.3 -74.5 -40.3 70.6 -14.9 101.3 446 772 A G H > S+ 0 0 11 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.903 108.7 51.9 -61.9 -41.0 69.1 -11.4 101.7 447 773 A L H >X S+ 0 0 9 -4,-2.7 4,-1.7 1,-0.2 3,-1.1 0.903 108.1 51.7 -60.2 -45.2 65.8 -13.1 102.7 448 774 A A H 3X>S+ 0 0 5 -4,-1.6 4,-1.9 1,-0.3 5,-1.2 0.892 104.8 56.5 -60.2 -39.5 67.6 -15.1 105.3 449 775 A R H 3<5S+ 0 0 140 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.643 113.8 40.0 -68.4 -14.9 69.2 -11.9 106.7 450 776 A Q H <<5S+ 0 0 103 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.609 119.2 45.2-105.5 -19.7 65.7 -10.5 107.2 451 777 A L H <5S- 0 0 26 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.565 100.9-128.6-100.7 -11.7 64.1 -13.7 108.4 452 778 A N T <5 + 0 0 118 -4,-1.9 -3,-0.2 1,-0.2 -4,-0.1 0.885 67.8 119.0 62.6 42.6 66.9 -14.7 110.8 453 779 A I < - 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