==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 07-JUL-98 2KZZ . COMPND 2 MOLECULE: DNA (5'-D(*GP*CP*TP*T*AP*CP*G)-3'); . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.A.BRAUTIGAM,S.SUN,J.A.PICCIRILLI,T.A.STEITZ . 601 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27814.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 434 72.2 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 . 53 8.8 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 . 32 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 250 41.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.5 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 0 5 4 0 2 1 0 2 1 1 1 0 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 . 3 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 0 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 0 186 0, 0.0 2,-0.2 0, 0.0 147,-0.0 0.000 360.0 360.0 360.0-131.9 77.6 35.9 77.8 2 325 A I - 0 0 11 5,-0.0 2,-0.2 4,-0.0 171,-0.1 -0.635 360.0-174.9 172.0 118.3 74.2 37.6 77.5 3 326 A S > - 0 0 49 -2,-0.2 4,-0.5 170,-0.1 3,-0.5 -0.474 47.2 -79.6-111.2-164.9 74.0 41.3 77.6 4 327 A Y T 4 S+ 0 0 115 1,-0.2 5,-0.1 -2,-0.2 166,-0.0 0.498 120.4 68.0 -78.7 -3.0 71.3 43.9 77.7 5 328 A D T 4 S+ 0 0 145 1,-0.1 -1,-0.2 3,-0.1 3,-0.0 0.805 85.7 64.8 -85.8 -36.2 71.0 43.5 73.8 6 329 A N T 4 S+ 0 0 71 -3,-0.5 51,-0.3 1,-0.1 2,-0.3 0.905 107.3 28.5 -54.6 -52.0 69.6 40.0 73.7 7 330 A Y S < S- 0 0 23 -4,-0.5 2,-0.2 49,-0.1 51,-0.2 -0.857 76.6-121.6-121.9 151.8 66.2 40.6 75.3 8 331 A V E -a 58 0A 64 49,-1.2 51,-2.5 -2,-0.3 2,-0.6 -0.571 13.4-141.7 -89.7 153.4 63.9 43.5 75.6 9 332 A T E -a 59 0A 25 -2,-0.2 2,-0.7 49,-0.2 51,-0.2 -0.969 18.8-143.3-116.3 108.2 62.7 45.0 78.9 10 333 A I + 0 0 2 49,-2.2 63,-0.4 -2,-0.6 3,-0.1 -0.689 34.2 157.5 -81.7 112.6 59.1 46.0 78.7 11 334 A L + 0 0 68 -2,-0.7 2,-0.3 61,-0.1 -1,-0.1 0.248 55.8 58.9-116.0 6.6 58.4 49.2 80.6 12 335 A D S >> S- 0 0 72 1,-0.1 4,-1.8 61,-0.1 3,-0.7 -1.000 73.4-127.9-143.3 144.3 55.2 50.5 78.8 13 336 A E H 3> S+ 0 0 75 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.840 106.2 60.6 -52.3 -45.0 51.7 49.2 78.2 14 337 A E H 3> S+ 0 0 162 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.894 108.8 43.0 -55.5 -41.5 51.8 49.8 74.5 15 338 A T H <> S+ 0 0 45 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.858 113.2 52.1 -72.7 -36.1 54.8 47.4 74.1 16 339 A L H X S+ 0 0 1 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.944 109.9 48.9 -64.2 -49.6 53.2 44.8 76.4 17 340 A K H X S+ 0 0 97 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.857 108.6 54.5 -59.6 -32.1 50.0 44.8 74.5 18 341 A A H X S+ 0 0 52 -4,-1.4 4,-1.9 -5,-0.3 -2,-0.2 0.949 112.2 43.5 -65.8 -46.5 52.1 44.4 71.3 19 342 A W H X S+ 0 0 17 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.904 109.7 56.1 -65.0 -40.9 53.7 41.3 72.8 20 343 A I H X S+ 0 0 14 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.906 107.0 50.9 -57.6 -41.2 50.4 40.0 74.1 21 344 A A H < S+ 0 0 42 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.920 112.2 45.5 -62.6 -45.5 49.0 40.2 70.5 22 345 A K H >X S+ 0 0 88 -4,-1.9 3,-1.5 1,-0.2 4,-0.8 0.922 110.0 55.6 -63.4 -42.4 52.0 38.2 69.2 23 346 A L H >< S+ 0 0 2 -4,-3.0 3,-0.7 1,-0.3 -1,-0.2 0.855 98.9 62.6 -57.2 -39.9 51.6 35.8 72.1 24 347 A E T 3< S+ 0 0 128 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.647 110.2 37.4 -63.8 -19.6 48.0 35.1 71.0 25 348 A K T <4 S+ 0 0 170 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.491 88.0 110.5-112.9 -0.2 49.0 33.7 67.7 26 349 A A S << S- 0 0 24 -4,-0.8 66,-0.2 -3,-0.7 3,-0.2 -0.457 71.3-131.7 -71.8 140.5 52.1 31.9 68.6 27 350 A P S S- 0 0 112 0, 0.0 65,-0.4 0, 0.0 2,-0.3 0.865 87.6 -12.4 -61.3 -36.4 51.6 28.1 68.4 28 351 A V S S- 0 0 29 24,-0.2 2,-0.3 63,-0.1 65,-0.2 -0.945 72.4-159.6-159.1 146.4 53.2 27.6 71.9 29 352 A F E -b 93 0A 2 63,-2.3 65,-2.5 -2,-0.3 2,-0.4 -0.979 18.2-122.7-138.1 148.6 55.1 30.1 74.1 30 353 A A E -bC 94 51A 0 21,-2.2 21,-1.6 -2,-0.3 2,-0.4 -0.747 32.6-173.6 -86.5 139.6 57.5 29.9 77.1 31 354 A F E + C 0 50A 2 63,-2.5 2,-0.3 -2,-0.4 65,-0.2 -0.985 6.9 175.4-138.1 144.1 56.4 31.8 80.2 32 355 A D E - C 0 49A 15 17,-2.4 17,-2.1 -2,-0.4 2,-0.3 -0.961 16.2-149.2-146.7 157.1 58.1 32.5 83.5 33 356 A T E - C 0 48A 5 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.959 6.4-155.8-127.4 145.5 57.6 34.4 86.8 34 357 A E E - C 0 47A 14 13,-2.5 12,-2.7 -2,-0.3 13,-1.5 -0.972 20.3-178.1-118.6 139.5 60.2 35.9 89.1 35 358 A T E - C 0 45A 14 -2,-0.4 128,-0.6 10,-0.3 10,-0.2 -0.815 39.6-116.3-130.9 173.5 59.3 36.5 92.7 36 359 A D S S+ 0 0 44 8,-1.7 2,-0.3 -2,-0.3 9,-0.1 0.479 95.7 28.0 -90.2 0.2 60.8 37.9 95.9 37 360 A S - 0 0 46 7,-0.2 -1,-0.1 1,-0.1 6,-0.1 -0.996 63.7-131.8-159.0 152.8 60.8 34.5 97.6 38 361 A L S S+ 0 0 158 -2,-0.3 2,-0.9 -3,-0.1 -1,-0.1 0.769 83.8 99.2 -72.2 -27.5 61.0 30.7 97.2 39 362 A D > - 0 0 55 1,-0.2 4,-1.9 3,-0.1 3,-0.5 -0.502 65.1-156.7 -66.5 109.5 58.0 30.4 99.5 40 363 A N T 4 S+ 0 0 24 -2,-0.9 3,-0.2 1,-0.2 -1,-0.2 0.845 84.5 46.9 -55.5 -50.5 55.1 30.0 97.1 41 364 A I T 4 S+ 0 0 26 1,-0.2 -1,-0.2 289,-0.0 -2,-0.1 0.821 124.1 32.6 -67.3 -27.9 52.2 31.1 99.3 42 365 A S T 4 S+ 0 0 39 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.500 90.5 112.3-108.7 -3.4 53.9 34.2 100.5 43 366 A A < - 0 0 1 -4,-1.9 2,-0.4 -3,-0.2 -5,-0.0 -0.328 57.3-139.7 -68.2 148.6 56.1 35.2 97.5 44 367 A N - 0 0 64 19,-0.0 -8,-1.7 -2,-0.0 2,-0.3 -0.953 20.8-114.6-110.9 136.2 55.3 38.4 95.6 45 368 A L E +C 35 0A 0 -2,-0.4 -10,-0.3 -10,-0.2 3,-0.1 -0.512 32.7 176.4 -70.4 124.6 55.5 38.5 91.8 46 369 A V E - 0 0 2 -12,-2.7 16,-2.8 1,-0.4 17,-2.7 0.638 61.5 -30.6-101.9 -23.1 58.2 40.9 90.9 47 370 A G E -CD 34 61A 0 -13,-1.5 -13,-2.5 14,-0.3 -1,-0.4 -0.982 51.0-122.1 178.1 170.7 57.9 40.3 87.1 48 371 A L E -CD 33 60A 0 12,-2.1 12,-3.7 -2,-0.3 2,-0.3 -0.955 15.5-158.7-132.8 149.7 57.1 38.0 84.2 49 372 A S E -CD 32 59A 0 -17,-2.1 -17,-2.4 -2,-0.3 2,-0.3 -0.950 8.7-176.5-129.6 148.4 59.1 36.8 81.1 50 373 A F E -CD 31 58A 2 8,-2.0 8,-2.4 -2,-0.3 2,-0.3 -0.961 11.6-165.7-138.3 159.8 58.0 35.4 77.8 51 374 A A E +CD 30 57A 0 -21,-1.6 -21,-2.2 -2,-0.3 6,-0.2 -0.942 7.9 178.1-149.1 117.9 59.6 33.9 74.7 52 375 A I E S+ 0 0 28 4,-1.5 -24,-0.2 -2,-0.3 5,-0.1 0.605 76.8 2.9 -93.4 -13.6 57.6 33.5 71.4 53 376 A E E > S- D 0 56A 117 3,-1.2 3,-2.8 -27,-0.1 -1,-0.3 -0.970 98.0 -69.0-167.7 151.1 60.6 32.1 69.4 54 377 A P T 3 S+ 0 0 66 0, 0.0 127,-0.1 0, 0.0 3,-0.1 -0.262 123.1 9.9 -54.2 124.6 64.2 31.2 70.0 55 378 A G T 3 S+ 0 0 42 1,-0.1 2,-0.7 122,-0.1 125,-0.1 0.211 109.4 97.5 90.5 -13.5 66.2 34.3 70.7 56 379 A V E < + D 0 53A 49 -3,-2.8 -4,-1.5 124,-0.1 -3,-1.2 -0.841 49.6 130.6-112.3 94.6 63.1 36.4 70.9 57 380 A A E - D 0 51A 2 -2,-0.7 -49,-1.2 -51,-0.3 2,-0.3 -0.964 34.2-154.7-142.6 157.1 62.1 36.8 74.6 58 381 A A E -aD 8 50A 1 -8,-2.4 -8,-2.0 -2,-0.3 2,-0.5 -0.968 10.4-141.2-136.8 153.3 61.1 39.7 76.9 59 382 A Y E -aD 9 49A 0 -51,-2.5 -49,-2.2 -2,-0.3 -10,-0.2 -0.949 10.1-163.8-114.4 125.6 61.2 40.6 80.6 60 383 A I E - D 0 48A 1 -12,-3.7 -12,-2.1 -2,-0.5 2,-0.3 -0.859 10.0-161.3-108.7 94.8 58.3 42.6 82.1 61 384 A P E + D 0 47A 0 0, 0.0 12,-0.6 0, 0.0 -14,-0.3 -0.597 22.3 160.4 -75.8 131.5 59.3 44.0 85.5 62 385 A V + 0 0 11 -16,-2.8 13,-0.5 -2,-0.3 -15,-0.2 0.677 68.1 28.9-121.7 -28.0 56.4 45.0 87.6 63 386 A A + 0 0 21 -17,-2.7 2,-0.4 11,-0.1 -16,-0.1 -0.118 67.2 137.2-131.2 41.9 57.6 45.2 91.2 64 387 A H + 0 0 8 -18,-0.2 101,-0.2 6,-0.1 100,-0.1 -0.735 19.9 171.8 -84.2 135.9 61.3 46.2 91.5 65 388 A D + 0 0 110 99,-1.9 100,-0.1 -2,-0.4 3,-0.1 0.122 19.7 135.8-136.3 22.9 61.7 48.7 94.3 66 389 A Y S > S- 0 0 60 98,-0.7 3,-2.1 1,-0.2 2,-0.1 -0.140 77.4 -59.4 -62.2 170.3 65.4 49.3 94.9 67 390 A L T 3 S- 0 0 149 1,-0.3 -1,-0.2 98,-0.1 -2,-0.0 -0.361 126.2 -0.6 -58.4 124.5 66.4 53.0 95.4 68 391 A D T 3 S+ 0 0 137 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.616 82.5 176.8 67.2 22.0 65.5 54.9 92.2 69 392 A A < - 0 0 25 -3,-2.1 -1,-0.2 1,-0.1 3,-0.1 -0.333 36.9-108.3 -56.7 127.1 64.0 51.8 90.3 70 393 A P - 0 0 63 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 -0.124 44.9 -77.9 -54.6 156.4 62.7 53.2 87.0 71 394 A D - 0 0 155 -3,-0.1 2,-0.3 1,-0.0 -9,-0.0 -0.296 58.1-175.9 -57.4 139.8 58.9 53.4 86.4 72 395 A Q - 0 0 37 -10,-0.2 2,-0.2 -3,-0.1 -10,-0.1 -0.886 36.9 -86.4-135.1 162.4 57.5 50.0 85.5 73 396 A I - 0 0 13 -12,-0.6 -61,-0.1 -63,-0.4 -63,-0.0 -0.557 59.7-104.5 -68.4 135.7 54.1 48.8 84.5 74 397 A S > - 0 0 66 -2,-0.2 4,-2.9 1,-0.1 5,-0.3 -0.278 18.0-122.9 -64.2 148.0 52.2 48.1 87.8 75 398 A R H > S+ 0 0 71 -13,-0.5 4,-2.0 1,-0.2 5,-0.2 0.914 113.9 51.0 -55.6 -42.4 51.8 44.5 88.9 76 399 A E H > S+ 0 0 130 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.877 112.9 43.3 -65.4 -39.0 48.0 45.1 89.0 77 400 A R H > S+ 0 0 61 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.885 113.2 51.7 -73.6 -39.7 47.9 46.5 85.4 78 401 A A H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.868 112.0 47.8 -64.5 -36.5 50.2 43.9 84.0 79 402 A L H X S+ 0 0 7 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.860 108.6 51.2 -75.3 -36.2 48.2 41.1 85.4 80 403 A E H < S+ 0 0 118 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.887 115.1 43.8 -69.6 -33.7 44.8 42.4 84.3 81 404 A L H < S+ 0 0 35 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.795 119.8 42.3 -77.0 -30.8 46.1 42.7 80.7 82 405 A L H X S+ 0 0 0 -4,-1.5 4,-2.3 -5,-0.2 3,-0.2 0.697 94.5 84.7 -87.1 -21.7 47.9 39.3 80.9 83 406 A K H X S+ 0 0 76 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.853 83.9 53.0 -50.1 -50.6 45.0 37.5 82.6 84 407 A P H 4 S+ 0 0 83 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.934 114.3 44.3 -53.5 -45.9 42.9 36.6 79.5 85 408 A L H >4 S+ 0 0 5 -4,-0.3 3,-0.8 -3,-0.2 6,-0.2 0.882 113.5 49.6 -63.7 -47.6 46.0 35.0 77.9 86 409 A L H 3< S+ 0 0 0 -4,-2.3 27,-2.1 1,-0.2 -1,-0.2 0.887 113.4 46.0 -62.6 -39.0 47.1 33.2 81.1 87 410 A E T 3< S+ 0 0 48 -4,-2.7 2,-0.8 25,-0.2 -1,-0.2 0.428 86.0 109.3 -86.2 0.9 43.6 31.7 81.7 88 411 A D X - 0 0 65 -3,-0.8 3,-0.7 -4,-0.4 -3,-0.0 -0.701 52.7-163.8 -83.2 110.1 43.1 30.6 78.1 89 412 A E T 3 S+ 0 0 116 -2,-0.8 -1,-0.2 1,-0.2 -4,-0.0 0.749 91.7 58.8 -62.3 -23.5 43.3 26.9 78.0 90 413 A K T 3 S+ 0 0 148 1,-0.1 2,-1.0 2,-0.1 -1,-0.2 0.815 85.9 81.9 -76.9 -32.4 43.8 27.3 74.2 91 414 A A S < S- 0 0 12 -3,-0.7 2,-0.5 -6,-0.2 -63,-0.1 -0.658 81.7-142.6 -77.3 103.8 46.9 29.4 74.6 92 415 A L - 0 0 61 -2,-1.0 -63,-2.3 -65,-0.4 2,-0.3 -0.566 16.8-162.9 -77.7 122.6 49.6 26.7 75.1 93 416 A K E -be 29 115A 0 21,-2.4 24,-2.0 -2,-0.5 23,-0.6 -0.735 8.4-160.2-106.6 149.3 52.4 27.5 77.6 94 417 A V E +be 30 117A 0 -65,-2.5 -63,-2.5 -2,-0.3 2,-0.3 -0.952 24.4 151.5-121.2 144.8 55.8 26.0 78.1 95 418 A G E - e 0 118A 0 22,-1.9 24,-2.1 -2,-0.4 2,-0.7 -0.985 47.6-107.6-168.5 161.3 57.9 26.3 81.3 96 419 A Q S S- 0 0 27 -2,-0.3 5,-0.1 1,-0.3 22,-0.1 -0.919 106.4 -7.6 -96.8 114.0 60.5 24.8 83.6 97 420 A N S >> S- 0 0 54 -2,-0.7 3,-0.9 1,-0.1 4,-0.9 0.992 73.3-175.7 60.5 62.0 58.6 23.6 86.8 98 421 A L H 3> S+ 0 0 0 -3,-0.4 4,-2.9 1,-0.2 5,-0.3 0.701 70.6 79.9 -60.5 -18.9 55.3 25.2 85.9 99 422 A K H 3> S+ 0 0 24 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.925 94.3 45.0 -54.6 -48.5 54.1 24.0 89.3 100 423 A Y H <> S+ 0 0 46 -3,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.880 114.1 50.3 -61.3 -42.9 55.8 27.0 91.0 101 424 A D H X S+ 0 0 3 -4,-0.9 4,-1.7 2,-0.2 -2,-0.2 0.918 105.5 53.0 -64.6 -46.5 54.5 29.4 88.3 102 425 A R H X S+ 0 0 13 -4,-2.9 4,-1.8 1,-0.2 10,-0.3 0.929 109.8 52.6 -58.6 -39.6 50.8 28.3 88.4 103 426 A G H X S+ 0 0 0 -4,-1.6 4,-0.6 -5,-0.3 -1,-0.2 0.907 103.2 53.7 -63.2 -47.3 50.9 28.9 92.2 104 427 A I H >< S+ 0 0 0 -4,-1.8 3,-1.0 1,-0.2 -1,-0.2 0.891 110.0 49.5 -55.9 -39.2 52.3 32.5 92.1 105 428 A L H ><>S+ 0 0 0 -4,-1.7 3,-2.4 1,-0.3 5,-1.7 0.873 101.8 61.1 -68.8 -35.9 49.5 33.4 89.7 106 429 A A H ><5S+ 0 0 25 -4,-1.8 3,-0.7 1,-0.3 -1,-0.3 0.592 90.0 71.3 -65.9 -13.7 46.9 31.8 92.0 107 430 A N T <<5S+ 0 0 44 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.642 103.9 42.0 -73.5 -16.0 48.1 34.4 94.6 108 431 A Y T < 5S- 0 0 54 -3,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.174 124.2 -98.5-116.9 19.7 46.3 37.0 92.4 109 432 A G T < 5S+ 0 0 54 -3,-0.7 2,-0.5 1,-0.3 -3,-0.2 0.748 81.0 135.2 72.2 21.8 43.2 35.1 91.6 110 433 A I < - 0 0 4 -5,-1.7 2,-0.8 -8,-0.1 -1,-0.3 -0.900 45.7-150.6-106.7 129.7 44.5 34.0 88.3 111 434 A E - 0 0 50 -2,-0.5 2,-0.5 -3,-0.1 -8,-0.1 -0.861 14.0-142.9-103.0 99.7 44.0 30.4 87.2 112 435 A L + 0 0 6 -2,-0.8 -25,-0.2 -10,-0.3 2,-0.2 -0.458 29.4 173.6 -63.9 111.1 46.9 29.4 84.8 113 436 A R + 0 0 112 -27,-2.1 -25,-0.2 -2,-0.5 3,-0.2 -0.629 50.6 55.9-112.2 174.9 45.4 27.1 82.1 114 437 A G + 0 0 15 1,-0.2 -21,-2.4 -2,-0.2 2,-2.3 0.888 60.9 170.9 69.8 34.8 46.9 25.6 79.0 115 438 A I E +e 93 0A 25 -3,-0.2 -1,-0.2 1,-0.2 96,-0.1 -0.504 16.8 148.4 -79.7 76.2 49.7 24.0 81.2 116 439 A A E + 0 0 25 -2,-2.3 2,-0.4 -23,-0.6 -1,-0.2 0.892 50.5 24.7 -82.1 -47.3 50.9 22.0 78.2 117 440 A F E -e 94 0A 19 -24,-2.0 -22,-1.9 -3,-0.3 2,-0.5 -0.982 47.0-177.1-134.8 132.7 54.7 21.5 78.5 118 441 A D E > -e 95 0A 0 -2,-0.4 4,-2.0 -24,-0.2 3,-0.4 -0.984 17.6-153.5-122.8 114.2 57.0 21.5 81.4 119 442 A T H > S+ 0 0 0 -24,-2.1 4,-2.2 -2,-0.5 -23,-0.2 0.791 94.8 60.3 -63.2 -21.8 60.6 21.0 80.3 120 443 A M H > S+ 0 0 27 -25,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.922 110.6 40.4 -68.3 -43.6 61.5 19.5 83.6 121 444 A L H > S+ 0 0 0 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.782 109.7 59.0 -75.6 -28.5 59.0 16.8 83.1 122 445 A E H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.983 111.0 43.3 -61.8 -49.9 59.9 16.4 79.4 123 446 A S H X S+ 0 0 3 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.926 112.8 52.3 -58.6 -50.1 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 0.830 111.7 44.9 -57.3 -41.8 62.2 13.3 83.3 125 448 A I H < S+ 0 0 9 -4,-2.3 371,-0.3 2,-0.2 -1,-0.2 0.801 107.7 59.0 -75.7 -26.9 60.0 11.2 81.0 126 449 A L H < S- 0 0 32 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.881 138.7 -20.3 -67.9 -39.0 62.7 11.0 78.3 127 450 A N >< - 0 0 47 -4,-1.7 3,-2.6 -5,-0.2 4,-0.4 -0.427 60.0-161.0-173.4 92.1 65.2 9.4 80.8 128 451 A S T 3 S+ 0 0 9 368,-0.4 3,-0.3 -4,-0.4 -3,-0.1 0.753 95.4 42.7 -50.2 -30.6 64.5 9.8 84.6 129 452 A V T 3 S+ 0 0 67 1,-0.2 -1,-0.3 210,-0.1 3,-0.1 0.331 78.3 104.3-104.5 13.3 68.1 8.9 85.4 130 453 A A S < S- 0 0 51 -3,-2.6 2,-0.3 1,-0.2 -1,-0.2 0.824 96.7 -86.2 -59.8 -31.0 69.9 10.8 82.7 131 454 A G S S- 0 0 33 -4,-0.4 -1,-0.2 -3,-0.3 2,-0.1 -0.978 77.5 -9.0 154.4-160.3 70.8 13.3 85.4 132 455 A R - 0 0 176 -2,-0.3 205,-0.1 1,-0.1 -3,-0.0 -0.429 49.8-151.7 -70.0 139.0 69.5 16.4 87.1 133 456 A H + 0 0 15 203,-0.3 2,-0.2 -2,-0.1 -9,-0.1 0.112 54.1 118.0 -99.3 20.4 66.3 17.8 85.5 134 457 A D S > S- 0 0 36 1,-0.1 4,-2.8 -11,-0.1 3,-0.4 -0.528 77.5-108.1 -82.2 156.2 66.7 21.5 86.4 135 458 A M H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.789 116.2 54.2 -55.5 -35.5 67.1 24.1 83.7 136 459 A D H > S+ 0 0 55 2,-0.2 4,-1.4 1,-0.2 11,-0.3 0.930 112.9 42.0 -68.8 -40.1 70.7 24.7 84.3 137 460 A S H > S+ 0 0 28 -3,-0.4 4,-1.3 2,-0.2 -2,-0.2 0.906 116.3 51.0 -70.4 -41.0 71.6 21.1 84.0 138 461 A L H >X>S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 3,-1.0 0.966 106.4 51.8 -60.3 -55.7 69.3 20.7 81.0 139 462 A A H 3X5S+ 0 0 0 -4,-2.8 6,-1.7 1,-0.3 4,-1.6 0.848 111.6 48.9 -50.4 -39.4 70.7 23.7 79.0 140 463 A E H 3<5S+ 0 0 94 -4,-1.4 -1,-0.3 4,-0.3 -2,-0.2 0.773 116.5 42.2 -72.5 -29.1 74.2 22.4 79.4 141 464 A R H <<5S+ 0 0 79 -4,-1.3 -2,-0.2 -3,-1.0 -1,-0.2 0.876 128.8 23.3 -85.8 -46.5 73.2 18.9 78.3 142 465 A W H <5S+ 0 0 59 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.706 137.1 28.3 -95.1 -24.6 70.9 19.7 75.3 143 466 A L S <> - 0 0 42 -2,-0.4 4,-1.0 1,-0.1 3,-0.5 -0.543 13.6-119.7 -86.0 150.9 72.7 31.2 87.8 150 473 A F H >> S+ 0 0 60 1,-0.2 4,-2.6 -2,-0.2 3,-0.8 0.913 115.2 56.6 -57.4 -37.8 70.5 32.8 90.5 151 474 A E H 3> S+ 0 0 73 1,-0.2 4,-1.4 3,-0.2 -1,-0.2 0.839 98.3 61.9 -60.9 -37.4 73.7 33.4 92.6 152 475 A E H <4 S+ 0 0 116 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.822 116.5 28.5 -60.8 -35.0 75.2 35.4 89.8 153 476 A I H << S+ 0 0 14 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.738 134.4 29.7 -97.2 -29.1 72.5 38.0 89.9 154 477 A A H < S- 0 0 7 -4,-2.6 7,-2.1 1,-0.3 2,-0.3 0.826 97.6-135.3 -99.5 -37.9 71.5 37.9 93.5 155 478 A G < - 0 0 27 -4,-1.4 2,-0.3 -5,-0.4 -1,-0.3 -0.767 21.0 -85.8 112.9-164.8 74.6 36.8 95.4 156 479 A K S S+ 0 0 163 -2,-0.3 3,-0.3 -4,-0.1 5,-0.0 -0.862 74.7 26.8-137.5 173.4 75.1 34.2 98.1 157 480 A G S > S- 0 0 62 -2,-0.3 3,-1.2 1,-0.2 0, 0.0 -0.151 109.7 -40.6 69.6-165.2 74.8 34.0 101.9 158 481 A K T 3 S+ 0 0 216 1,-0.3 -1,-0.2 -3,-0.0 -3,-0.0 0.824 134.3 60.1 -70.3 -29.1 72.7 36.0 104.1 159 482 A N T 3 S+ 0 0 165 -3,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.199 77.0 133.9 -84.7 20.4 73.3 39.3 102.2 160 483 A Q < - 0 0 71 -3,-1.2 -5,-0.2 -5,-0.1 2,-0.1 -0.418 56.3-119.4 -68.9 141.9 71.8 37.7 99.1 161 484 A L - 0 0 65 -7,-2.1 2,-0.4 -2,-0.1 -1,-0.1 -0.393 13.1-127.9 -84.0 154.5 69.4 40.0 97.2 162 485 A T > - 0 0 54 -2,-0.1 3,-3.2 1,-0.1 4,-0.3 -0.849 37.0-103.0 -95.8 147.4 65.7 39.2 96.6 163 486 A F G > S+ 0 0 1 -128,-0.6 3,-1.4 -2,-0.4 -127,-0.1 0.732 118.1 63.1 -39.5 -36.4 64.7 39.6 92.9 164 487 A N G 3 S+ 0 0 18 1,-0.3 -99,-1.9 -100,-0.1 -98,-0.7 0.529 99.0 55.7 -70.0 -8.0 63.0 43.0 93.5 165 488 A Q G < S+ 0 0 85 -3,-3.2 2,-0.3 -101,-0.2 -1,-0.3 0.361 86.4 101.4-103.9 -0.9 66.4 44.6 94.5 166 489 A I S < S- 0 0 6 -3,-1.4 -100,-0.2 -4,-0.3 -12,-0.1 -0.675 85.8 -99.9 -88.5 136.5 68.1 43.6 91.3 167 490 A A > - 0 0 48 -2,-0.3 4,-3.0 1,-0.1 3,-0.5 -0.266 34.7-114.9 -55.4 142.4 68.6 46.2 88.6 168 491 A L H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.868 113.5 47.3 -45.2 -50.8 66.0 45.9 85.8 169 492 A E H > S+ 0 0 71 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.780 114.0 46.3 -68.0 -32.0 68.4 45.0 83.1 170 493 A E H > S+ 0 0 52 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.907 112.8 50.5 -76.0 -41.5 70.2 42.4 85.2 171 494 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.891 110.6 51.8 -58.8 -40.1 66.9 41.0 86.3 172 495 A G H X S+ 0 0 2 -4,-2.2 4,-2.9 -5,-0.2 5,-0.4 0.871 103.1 55.3 -65.6 -43.2 65.9 40.8 82.6 173 496 A R H X S+ 0 0 22 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.940 115.2 40.8 -55.5 -48.1 69.0 39.0 81.4 174 497 A Y H X S+ 0 0 32 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.957 120.4 41.6 -64.2 -54.8 68.2 36.2 83.9 175 498 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.926 116.0 47.4 -61.0 -52.6 64.4 36.1 83.5 176 499 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.850 110.5 52.7 -62.1 -36.1 64.4 36.4 79.7 177 500 A E H X S+ 0 0 2 -4,-1.6 4,-3.4 -5,-0.4 5,-0.3 0.870 105.8 54.7 -66.6 -36.8 67.0 33.7 79.3 178 501 A D H X S+ 0 0 19 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.944 112.5 44.0 -57.6 -49.6 64.9 31.4 81.4 179 502 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.967 118.1 43.5 -58.2 -54.1 62.0 32.0 79.0 180 503 A D H X S+ 0 0 8 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.931 114.8 47.5 -60.1 -54.1 64.2 31.6 75.9 181 504 A V H X S+ 0 0 1 -4,-3.4 4,-2.5 1,-0.2 -1,-0.2 0.904 109.0 55.6 -57.8 -42.7 66.2 28.6 77.1 182 505 A T H X S+ 0 0 4 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.929 107.8 48.5 -56.9 -46.4 63.0 26.9 78.2 183 506 A L H X S+ 0 0 4 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.927 111.1 50.1 -60.1 -44.9 61.5 27.3 74.7 184 507 A Q H X S+ 0 0 55 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.899 109.3 51.5 -62.0 -38.1 64.7 25.9 73.0 185 508 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.846 109.4 50.3 -66.4 -36.4 64.7 22.9 75.4 186 509 A H H X S+ 0 0 3 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.887 106.1 56.0 -67.8 -41.4 61.1 22.1 74.4 187 510 A L H < S+ 0 0 80 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.762 115.1 38.2 -64.4 -26.1 61.9 22.4 70.7 188 511 A K H X S+ 0 0 113 -4,-1.2 4,-1.0 -5,-0.2 -2,-0.2 0.882 123.5 38.9 -90.0 -41.6 64.6 19.7 71.1 189 512 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.819 104.5 62.9 -78.8 -40.2 62.8 17.4 73.6 190 513 A W H < S+ 0 0 56 -4,-2.7 -1,-0.2 2,-0.2 4,-0.2 0.871 104.6 48.7 -55.5 -43.1 59.2 17.5 72.4 191 514 A P H >4 S+ 0 0 66 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.969 112.0 50.0 -62.6 -47.3 60.1 15.9 69.1 192 515 A D H >< S+ 0 0 62 -4,-1.0 3,-1.3 1,-0.3 -2,-0.2 0.806 98.8 66.1 -57.1 -36.4 62.1 13.2 70.9 193 516 A L T 3< S+ 0 0 2 -4,-2.1 -1,-0.3 1,-0.2 3,-0.2 0.515 96.7 60.1 -65.2 -4.3 59.2 12.5 73.2 194 517 A Q T < S+ 0 0 80 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.593 75.1 83.6-104.8 -6.2 57.4 11.2 70.2 195 518 A K S < S+ 0 0 154 -3,-1.3 2,-0.4 -4,-0.3 -1,-0.2 0.609 99.7 43.8 -69.1 -10.7 59.6 8.4 69.0 196 519 A H > - 0 0 82 -3,-0.2 4,-1.7 -4,-0.2 -1,-0.2 -0.967 63.0-155.7-142.9 128.2 57.7 6.3 71.7 197 520 A K H > S+ 0 0 154 -2,-0.4 4,-1.8 2,-0.2 5,-0.1 0.701 93.1 63.4 -71.8 -18.2 54.1 6.0 72.6 198 521 A G H > S+ 0 0 15 2,-0.2 4,-1.9 3,-0.1 5,-0.2 0.998 109.2 33.5 -68.0 -70.5 55.0 4.8 76.1 199 522 A P H > S+ 0 0 7 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.900 117.0 59.3 -53.2 -40.1 56.8 7.8 77.5 200 523 A L H X S+ 0 0 25 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.946 105.7 46.3 -54.1 -54.8 54.5 10.0 75.4 201 524 A N H X>S+ 0 0 46 -4,-1.8 4,-2.8 1,-0.2 5,-0.6 0.902 112.4 49.9 -55.9 -48.4 51.4 8.7 77.1 202 525 A V H X>S+ 0 0 0 -4,-1.9 5,-2.9 1,-0.2 4,-1.5 0.911 114.1 45.0 -58.1 -44.1 52.8 9.0 80.6 203 526 A F H <>S+ 0 0 2 -4,-2.5 5,-2.5 3,-0.2 -2,-0.2 0.879 119.5 41.1 -67.3 -43.1 54.0 12.6 80.0 204 527 A E H <5S+ 0 0 88 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.862 129.2 22.4 -73.5 -50.0 50.7 13.7 78.4 205 528 A N H <5S+ 0 0 89 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.626 134.4 27.4 -97.7 -18.8 48.1 12.1 80.5 206 529 A I T X>4 S+ 0 0 46 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.766 105.7 62.1 -64.7 -22.7 47.8 17.1 84.3 210 533 A L H S+ 0 0 21 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.752 113.4 56.1 -73.2 -21.7 48.4 21.9 88.8 213 536 A V H X S+ 0 0 2 -4,-0.5 4,-2.2 -3,-0.2 -2,-0.2 0.923 106.9 48.8 -74.1 -41.0 47.2 19.3 91.3 214 537 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.937 110.0 53.5 -61.8 -44.7 50.6 19.2 93.1 215 538 A S H X S+ 0 0 2 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.914 111.1 44.9 -53.6 -48.0 50.4 23.0 93.2 216 539 A R H X S+ 0 0 38 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.805 113.5 49.8 -67.5 -33.3 47.0 22.9 94.9 217 540 A I H X S+ 0 0 3 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.913 113.6 46.5 -71.5 -41.3 48.1 20.2 97.3 218 541 A E H < S+ 0 0 27 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.888 115.6 44.5 -66.7 -44.3 51.2 22.1 98.3 219 542 A R H < S+ 0 0 42 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.779 108.4 58.0 -71.8 -31.3 49.4 25.4 98.7 220 543 A N H < S- 0 0 47 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.944 91.6-179.8 -62.8 -46.7 46.6 23.8 100.6 221 544 A G < - 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0 0 49 1,-0.2 3,-1.7 -4,-0.2 4,-0.2 -0.742 15.6-173.1 -85.1 89.1 59.8 14.4 104.1 350 676 A L G > S+ 0 0 3 -2,-1.4 3,-1.5 1,-0.3 -1,-0.2 0.815 75.8 68.6 -54.0 -31.0 56.5 12.8 105.1 351 677 A Q G 3 S+ 0 0 48 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.614 92.8 56.5 -70.7 -10.9 57.8 9.4 103.8 352 678 A N G < S+ 0 0 100 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.342 74.2 112.7 -99.8 4.6 60.3 9.1 106.6 353 679 A I S < S- 0 0 4 -3,-1.5 7,-0.0 -4,-0.2 -3,-0.0 -0.723 82.9-106.6 -78.0 108.9 57.8 9.4 109.5 354 680 A P - 0 0 28 0, 0.0 3,-0.2 0, 0.0 9,-0.1 0.057 37.1-174.3 -38.9 133.0 57.8 5.8 111.0 355 681 A V S S+ 0 0 62 1,-0.2 2,-1.7 5,-0.1 6,-0.2 0.860 76.6 40.7 -96.7 -69.4 54.7 3.7 110.2 356 682 A R S S+ 0 0 209 4,-0.1 2,-0.2 5,-0.0 -1,-0.2 -0.637 102.5 82.0 -86.6 81.5 55.0 0.5 112.2 357 683 A N S > S- 0 0 84 -2,-1.7 4,-1.0 -3,-0.2 3,-0.0 -0.816 78.9-126.5-174.5 143.4 56.3 2.1 115.4 358 684 A E H > S+ 0 0 133 -2,-0.2 4,-1.0 1,-0.2 3,-0.1 0.890 104.6 56.2 -70.7 -39.7 54.4 3.8 118.1 359 685 A E H > S+ 0 0 9 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.835 102.8 54.8 -63.7 -33.2 56.3 7.1 118.2 360 686 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.905 102.6 59.7 -65.1 -37.5 55.7 7.7 114.5 361 687 A R H X S+ 0 0 123 -4,-1.0 4,-1.1 1,-0.3 -1,-0.2 0.807 102.9 51.0 -59.0 -33.5 52.0 7.4 115.3 362 688 A R H X S+ 0 0 50 -4,-1.0 4,-0.6 -3,-0.3 -1,-0.3 0.827 105.5 54.9 -75.0 -31.2 52.3 10.3 117.8 363 689 A I H >< S+ 0 0 0 -4,-1.4 3,-2.3 -3,-0.3 4,-0.2 0.995 109.1 49.3 -60.8 -54.6 53.9 12.4 115.1 364 690 A R H >< S+ 0 0 6 -4,-2.5 3,-1.6 1,-0.3 234,-0.8 0.719 98.8 65.3 -55.2 -29.9 50.9 11.7 112.9 365 691 A Q H 3< S+ 0 0 72 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.730 93.6 63.2 -66.9 -21.6 48.4 12.6 115.7 366 692 A A T << S+ 0 0 0 -3,-2.3 -141,-2.6 -4,-0.6 2,-1.2 0.525 80.9 88.3 -77.2 -12.3 49.8 16.2 115.4 367 693 A F B < S-G 224 0C 2 -3,-1.6 231,-2.7 -4,-0.2 2,-0.3 -0.790 72.6-179.0 -89.7 94.0 48.4 16.3 111.8 368 694 A I B -I 597 0E 36 -145,-1.5 -145,-0.4 -2,-1.2 229,-0.2 -0.722 31.0-121.8-106.3 156.1 45.0 17.6 112.7 369 695 A A - 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K 0 590F 3 176,-2.3 3,-1.2 -2,-0.3 2,-0.3 -0.835 35.0-130.0 -92.9 100.7 45.9 1.3 98.1 381 707 A S T 3 S- 0 0 14 208,-1.9 208,-0.2 -2,-1.0 5,-0.2 -0.391 75.8 -34.4 -56.9 112.6 46.2 -1.9 100.1 382 708 A Q T >> S+ 0 0 63 -2,-0.3 4,-1.9 1,-0.1 3,-0.7 0.846 79.1 172.4 33.5 58.1 49.4 -3.5 99.0 383 709 A I H <> S+ 0 0 1 -3,-1.2 4,-2.5 1,-0.2 5,-0.1 0.902 72.4 56.1 -58.2 -42.5 49.0 -2.2 95.5 384 710 A E H 3> S+ 0 0 21 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.738 107.0 49.1 -62.0 -31.2 52.6 -3.3 94.5 385 711 A L H <> S+ 0 0 4 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.856 111.5 49.6 -75.7 -38.1 51.8 -6.9 95.5 386 712 A R H X S+ 0 0 22 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.892 109.6 52.9 -67.5 -34.8 48.6 -6.6 93.5 387 713 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.930 107.4 50.3 -67.2 -42.3 50.7 -5.3 90.6 388 714 A M H X S+ 0 0 4 -4,-1.8 4,-1.1 1,-0.2 6,-0.2 0.874 106.6 55.3 -63.0 -37.4 53.1 -8.3 90.8 389 715 A A H <>S+ 0 0 0 -4,-1.9 5,-1.3 2,-0.2 3,-0.4 0.943 112.1 43.7 -59.9 -47.1 50.2 -10.7 90.7 390 716 A H H ><5S+ 0 0 51 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.941 113.7 49.0 -61.0 -52.6 48.9 -9.1 87.5 391 717 A L H 3<5S+ 0 0 22 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.575 115.3 44.8 -65.3 -16.6 52.4 -8.8 85.8 392 718 A S T 3<5S- 0 0 4 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.335 99.5-138.0-108.6 0.3 53.1 -12.5 86.6 393 719 A R T < 5 + 0 0 181 -3,-1.4 2,-0.6 -4,-0.2 -3,-0.2 0.748 39.5 169.2 46.7 34.1 49.7 -13.6 85.5 394 720 A D >< - 0 0 8 -5,-1.3 4,-2.6 -6,-0.2 5,-0.2 -0.666 30.0-160.5 -82.3 116.8 49.5 -16.0 88.5 395 721 A K H > S+ 0 0 173 -2,-0.6 4,-2.3 2,-0.2 5,-0.2 0.820 91.4 57.9 -62.9 -31.0 46.1 -17.5 89.0 396 722 A G H > S+ 0 0 25 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.997 112.8 35.0 -62.3 -63.6 47.0 -18.2 92.6 397 723 A L H > S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.954 118.0 53.0 -57.1 -52.7 47.9 -14.7 93.7 398 724 A L H X S+ 0 0 61 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.874 111.9 46.4 -52.4 -41.6 45.1 -13.2 91.5 399 725 A T H X S+ 0 0 50 -4,-2.3 4,-2.1 -5,-0.2 6,-0.3 0.914 104.9 59.6 -70.6 -38.1 42.6 -15.5 93.1 400 726 A A H ><>S+ 0 0 6 -4,-2.6 5,-2.6 1,-0.2 3,-0.5 0.963 114.8 36.5 -52.0 -53.5 43.8 -14.8 96.7 401 727 A F H ><5S+ 0 0 16 -4,-2.0 3,-1.8 1,-0.2 -1,-0.2 0.849 109.6 66.0 -66.0 -36.6 43.0 -11.1 96.1 402 728 A A H 3<5S+ 0 0 80 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.828 109.2 36.6 -54.0 -39.9 39.9 -12.0 94.1 403 729 A E T <<5S- 0 0 113 -4,-2.1 -1,-0.3 -3,-0.5 -2,-0.2 -0.015 119.6-104.9-105.0 23.9 38.2 -13.6 97.1 404 730 A G T < 5 + 0 0 71 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.727 64.7 155.8 63.1 28.6 39.5 -11.0 99.6 405 731 A K < - 0 0 78 -5,-2.6 2,-0.9 -6,-0.3 -1,-0.2 -0.605 55.0-103.6 -93.8 148.1 42.1 -13.2 101.3 406 732 A D >> - 0 0 60 -2,-0.2 4,-2.1 1,-0.2 3,-1.0 -0.579 32.1-150.5 -62.0 99.8 45.2 -12.0 103.2 407 733 A I H 3> S+ 0 0 1 -2,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.743 92.7 58.5 -49.7 -29.9 47.8 -12.7 100.5 408 734 A H H 3> S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.918 111.4 40.0 -68.6 -37.3 50.5 -13.3 103.1 409 735 A R H <> S+ 0 0 67 -3,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.780 116.2 50.8 -79.7 -29.5 48.5 -16.1 104.7 410 736 A A H X S+ 0 0 10 -4,-2.1 4,-1.5 2,-0.2 5,-0.2 0.956 111.1 49.7 -70.2 -46.3 47.4 -17.5 101.3 411 737 A T H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 3,-0.3 0.892 114.9 42.7 -56.4 -47.6 51.0 -17.5 100.2 412 738 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.4 0.862 107.7 60.7 -69.6 -35.5 52.1 -19.3 103.4 413 739 A A H <>S+ 0 0 16 -4,-1.9 5,-2.0 1,-0.2 -1,-0.2 0.787 116.2 33.5 -61.6 -29.3 49.1 -21.6 103.2 414 740 A E H <5S+ 0 0 92 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.819 119.5 48.8 -93.5 -39.9 50.5 -22.8 99.8 415 741 A V H <5S+ 0 0 6 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.868 123.8 31.7 -68.0 -41.2 54.2 -22.5 100.4 416 742 A F T <5S- 0 0 54 -4,-2.8 -1,-0.2 -5,-0.2 -3,-0.2 0.510 110.0-124.6 -94.6 -7.9 54.1 -24.4 103.7 417 743 A G T 5 + 0 0 60 -5,-0.4 -3,-0.2 1,-0.2 -4,-0.1 0.970 62.4 115.8 64.6 64.6 51.2 -26.6 102.6 418 744 A L < - 0 0 40 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.972 69.6 -73.5-154.5 161.3 48.5 -26.1 105.3 419 745 A P >> - 0 0 75 0, 0.0 3,-0.9 0, 0.0 4,-0.6 -0.222 41.7-123.4 -57.3 149.1 44.9 -24.7 105.7 420 746 A L G >4 S+ 0 0 38 1,-0.2 3,-0.9 2,-0.2 -8,-0.1 0.855 108.5 57.2 -63.4 -39.5 44.6 -21.0 105.6 421 747 A E G 34 S+ 0 0 153 1,-0.2 -1,-0.2 -8,-0.0 -12,-0.0 0.685 107.7 50.0 -69.3 -15.5 42.9 -20.7 109.0 422 748 A T G <4 S+ 0 0 77 -3,-0.9 -1,-0.2 2,-0.0 -2,-0.2 0.549 74.4 126.8 -98.4 -8.4 45.8 -22.5 110.6 423 749 A V << - 0 0 12 -3,-0.9 2,-0.1 -4,-0.6 -10,-0.1 -0.272 55.4-134.0 -54.9 127.8 48.7 -20.4 109.2 424 750 A T > - 0 0 65 1,-0.1 4,-2.7 -12,-0.1 5,-0.2 -0.339 17.0-111.0 -79.5 164.7 50.9 -19.2 112.2 425 751 A S H > S+ 0 0 90 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.819 119.3 52.4 -65.5 -32.4 52.2 -15.7 112.7 426 752 A E H > S+ 0 0 119 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.782 112.2 46.0 -72.9 -30.4 55.8 -16.9 112.0 427 753 A Q H > S+ 0 0 38 2,-0.2 4,-2.4 -3,-0.2 -2,-0.2 0.903 112.0 49.3 -76.8 -45.3 54.7 -18.5 108.8 428 754 A R H X S+ 0 0 62 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.879 113.0 50.4 -60.1 -36.5 52.7 -15.5 107.7 429 755 A R H X S+ 0 0 145 -4,-1.7 4,-1.2 -5,-0.2 -1,-0.2 0.800 109.5 49.1 -71.9 -31.0 55.8 -13.5 108.6 430 756 A S H X S+ 0 0 4 -4,-1.0 4,-1.1 2,-0.2 -2,-0.2 0.868 112.3 48.8 -74.9 -38.5 58.1 -15.8 106.5 431 757 A A H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 -2,-0.2 0.867 109.9 51.3 -65.1 -44.4 55.7 -15.5 103.5 432 758 A K H X S+ 0 0 44 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.827 106.6 53.7 -64.4 -36.9 55.5 -11.8 103.7 433 759 A A H X S+ 0 0 25 -4,-1.2 4,-1.0 2,-0.2 -1,-0.2 0.837 114.5 42.8 -67.1 -33.2 59.4 -11.5 103.8 434 760 A I H X S+ 0 0 0 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.938 112.4 52.1 -76.2 -49.4 59.4 -13.6 100.6 435 761 A N H X S+ 0 0 2 -4,-3.3 4,-0.9 1,-0.2 3,-0.3 0.946 116.8 39.3 -52.3 -52.7 56.5 -11.7 99.0 436 762 A F H X S+ 0 0 72 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.758 108.3 62.2 -72.4 -25.1 58.1 -8.3 99.6 437 763 A G H <>S+ 0 0 7 -4,-1.0 5,-2.7 -5,-0.2 -1,-0.2 0.904 98.1 58.1 -67.1 -39.3 61.6 -9.6 98.7 438 764 A L H ><5S+ 0 0 2 -4,-2.1 3,-1.1 -3,-0.3 -1,-0.2 0.871 101.7 54.2 -56.0 -44.7 60.5 -10.4 95.2 439 765 A I H 3<5S+ 0 0 2 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.955 115.0 39.2 -56.2 -50.3 59.5 -6.8 94.5 440 766 A Y T 3<5S- 0 0 136 -4,-1.4 -1,-0.3 78,-0.1 -2,-0.2 0.348 115.2-120.6 -81.6 5.6 62.9 -5.5 95.5 441 767 A G T < 5 - 0 0 15 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.646 44.8-169.9 62.7 17.1 64.4 -8.5 93.8 442 768 A M < - 0 0 68 -5,-2.7 -1,-0.2 -6,-0.2 -5,-0.0 -0.005 19.4-114.8 -44.0 134.8 65.9 -9.6 97.1 443 769 A S > - 0 0 62 1,-0.1 4,-2.4 4,-0.0 3,-0.2 -0.305 23.5-112.0 -70.4 153.9 68.5 -12.4 97.1 444 770 A A H > S+ 0 0 12 1,-0.2 4,-0.6 2,-0.2 14,-0.1 0.659 121.2 49.6 -60.3 -17.7 67.8 -15.7 98.9 445 771 A F H > S+ 0 0 104 2,-0.2 4,-1.2 3,-0.1 -1,-0.2 0.796 106.3 53.1 -91.5 -33.0 70.5 -14.7 101.3 446 772 A G H > S+ 0 0 12 -3,-0.2 4,-1.0 2,-0.2 3,-0.5 0.912 107.4 52.6 -66.2 -41.2 69.1 -11.3 101.9 447 773 A L H >X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.3 3,-0.6 0.878 105.4 55.5 -59.7 -37.0 65.8 -12.9 102.8 448 774 A A H 3X>S+ 0 0 6 -4,-0.6 4,-1.1 1,-0.2 5,-0.6 0.828 106.3 52.2 -64.6 -31.7 67.7 -15.1 105.2 449 775 A R H 3<5S+ 0 0 134 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.652 111.6 43.6 -79.4 -21.0 69.0 -11.9 106.8 450 776 A Q H <<5S+ 0 0 113 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.757 121.0 41.4 -91.6 -29.0 65.5 -10.3 107.3 451 777 A L H <5S- 0 0 29 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.581 99.4-133.3 -93.7 -14.8 64.1 -13.6 108.5 452 778 A N T <5 + 0 0 113 -4,-1.1 -3,-0.2 1,-0.2 -4,-0.1 0.600 62.7 128.0 69.7 12.9 67.0 -14.7 110.8 453 779 A I < - 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