==== 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 24-MAY-94 1KLN . COMPND 2 MOLECULE: DNA (5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR L.S.BEESE,V.DERBYSHIRE,T.A.STEITZ . 595 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28038.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 471 79.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 9.4 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 . 1 0.2 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 . 51 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 246 41.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 1 1 2 4 1 0 2 2 1 1 0 2 0 0 0 0 0 0 1 0 0 1 0 0 1 RESIDUES PER ALPHA HELIX . 0 1 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 PARALLEL BRIDGES PER LADDER . 3 1 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 V 0 0 167 0, 0.0 2,-0.2 0, 0.0 145,-0.0 0.000 360.0 360.0 360.0-118.6 79.2 36.7 76.8 2 325 A I + 0 0 11 145,-0.0 2,-0.3 5,-0.0 171,-0.1 -0.814 360.0 136.1-176.1 142.5 75.5 38.1 76.6 3 326 A S >> - 0 0 39 -2,-0.2 3,-1.9 170,-0.1 4,-0.8 -0.912 57.9 -26.9-167.0-157.4 74.3 41.6 77.6 4 327 A Y T 34 S+ 0 0 112 1,-0.3 5,-0.1 -2,-0.3 166,-0.0 0.490 118.0 57.4 -55.1 -16.8 72.2 44.7 76.9 5 328 A D T 34 S+ 0 0 157 1,-0.1 -1,-0.3 3,-0.1 3,-0.0 0.599 100.2 57.5 -94.5 -14.2 72.1 44.5 73.1 6 329 A N T <4 S+ 0 0 76 -3,-1.9 51,-0.5 1,-0.1 2,-0.3 0.934 107.3 31.1 -80.7 -54.1 70.5 41.0 72.8 7 330 A Y S < S- 0 0 13 -4,-0.8 2,-0.4 49,-0.1 51,-0.3 -0.694 77.9-125.2-106.7 159.4 67.3 41.1 74.6 8 331 A V E -a 58 0A 61 49,-1.1 51,-5.7 -2,-0.3 2,-0.6 -0.839 9.5-144.6-109.2 141.6 65.0 44.1 75.1 9 332 A T E -a 59 0A 23 -2,-0.4 2,-0.8 49,-0.3 51,-0.3 -0.918 20.2-140.2 -98.3 126.7 63.8 45.3 78.4 10 333 A I + 0 0 1 49,-3.9 63,-0.3 -2,-0.6 3,-0.0 -0.775 34.4 160.1 -96.9 111.8 60.2 46.6 78.1 11 334 A L + 0 0 55 -2,-0.8 2,-0.3 49,-0.1 -1,-0.1 0.208 57.3 56.8-108.3 11.7 59.6 49.7 80.1 12 335 A D S > S- 0 0 67 1,-0.1 4,-1.9 61,-0.1 3,-0.4 -0.991 73.0-126.8-149.4 145.7 56.4 51.0 78.3 13 336 A E H > S+ 0 0 80 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.772 104.6 58.8 -51.8 -45.2 52.9 49.8 77.5 14 337 A E H > S+ 0 0 161 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.929 111.0 43.4 -57.3 -44.6 53.0 50.5 73.7 15 338 A T H > S+ 0 0 40 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.916 113.4 53.0 -67.1 -40.1 55.9 48.1 73.4 16 339 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.933 107.6 49.4 -62.1 -46.2 54.3 45.6 75.7 17 340 A K H X S+ 0 0 111 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.900 109.5 53.8 -62.1 -36.3 51.1 45.6 73.7 18 341 A A H X S+ 0 0 57 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.905 109.5 47.6 -60.7 -43.9 53.2 45.0 70.6 19 342 A W H X S+ 0 0 18 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.899 108.0 54.8 -67.1 -36.0 54.9 42.1 72.2 20 343 A I H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.908 105.1 54.5 -65.1 -37.7 51.5 40.6 73.3 21 344 A A H X S+ 0 0 36 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.925 110.7 44.7 -64.6 -41.8 50.2 40.7 69.7 22 345 A K H >X S+ 0 0 87 -4,-1.8 3,-0.8 1,-0.2 4,-0.5 0.854 110.8 53.5 -72.7 -26.5 53.2 38.7 68.6 23 346 A L H >< S+ 0 0 2 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.883 103.4 59.9 -68.3 -35.8 52.8 36.3 71.6 24 347 A E H 3< S+ 0 0 129 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.644 111.1 39.0 -64.0 -22.1 49.2 35.8 70.5 25 348 A K H << S+ 0 0 162 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.426 90.8 104.4-113.1 3.8 50.2 34.5 67.1 26 349 A A S << S- 0 0 25 -3,-0.8 66,-0.2 -4,-0.5 3,-0.1 -0.569 70.4-134.7 -80.5 143.7 53.3 32.5 68.2 27 350 A P S S- 0 0 114 0, 0.0 65,-0.9 0, 0.0 2,-0.3 0.945 88.4 -6.5 -62.7 -48.6 52.6 28.6 68.2 28 351 A V E S-b 92 0A 38 63,-0.1 2,-0.3 24,-0.1 65,-0.3 -0.931 73.8-164.3-137.8 151.5 54.3 28.2 71.6 29 352 A F E -b 93 0A 0 63,-3.9 65,-1.2 -2,-0.3 2,-0.2 -0.969 10.6-136.8-138.9 153.6 56.2 30.8 73.5 30 353 A A E +bC 94 51A 0 21,-1.5 21,-0.6 -2,-0.3 2,-0.3 -0.714 25.3 174.2 -85.1-160.5 58.6 30.6 76.5 31 354 A F E - C 0 50A 4 63,-2.1 65,-0.3 -2,-0.2 2,-0.3 -0.999 15.6-153.9 157.6 148.4 58.6 32.8 79.6 32 355 A A E - C 0 49A 13 17,-2.3 17,-1.0 -2,-0.3 2,-0.4 -0.868 10.2-141.0-136.0 163.8 60.2 33.4 83.0 33 356 A T E - C 0 48A 10 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.980 10.6-160.2-129.5 137.8 59.3 35.0 86.3 34 357 A E E + C 0 47A 10 13,-2.3 12,-3.2 -2,-0.4 13,-1.5 -0.996 21.0 174.1-119.2 122.7 61.8 37.0 88.3 35 358 A T E - C 0 45A 18 -2,-0.4 128,-0.6 10,-0.2 10,-0.2 -0.733 43.7-116.8-128.5 175.2 61.0 37.5 92.0 36 359 A D S S+ 0 0 44 8,-1.9 2,-0.2 -2,-0.2 9,-0.1 0.187 95.7 13.0 -97.2 20.9 62.3 38.8 95.3 37 360 A S - 0 0 55 7,-0.2 -1,-0.2 1,-0.0 6,-0.1 -0.808 65.9-121.9 174.5 152.0 62.4 35.4 97.0 38 361 A L S S+ 0 0 154 -2,-0.2 2,-1.8 -3,-0.1 3,-0.1 0.393 79.7 108.6 -82.4 -5.9 62.2 31.8 96.4 39 362 A D >> - 0 0 56 1,-0.2 4,-2.1 2,-0.1 3,-2.0 -0.608 61.4-156.4 -79.6 95.0 59.3 31.4 98.7 40 363 A N T 34 S+ 0 0 18 -2,-1.8 -1,-0.2 1,-0.3 67,-0.2 0.604 89.3 43.9 -45.3 -18.4 56.6 30.8 96.1 41 364 A I T 34 S+ 0 0 18 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.653 122.1 33.7-107.0 -17.4 53.9 32.0 98.4 42 365 A S T <4 S+ 0 0 40 -3,-2.0 -2,-0.2 2,-0.1 2,-0.2 0.413 92.0 113.4-113.9 -2.4 55.6 35.2 99.9 43 366 A A < - 0 0 3 -4,-2.1 2,-0.4 -6,-0.1 -5,-0.1 -0.503 56.5-142.3 -75.2 143.8 57.6 36.2 96.8 44 367 A N - 0 0 69 -2,-0.2 -8,-1.9 19,-0.0 2,-0.2 -0.863 23.2-114.2-104.8 136.1 56.8 39.5 94.9 45 368 A L E +C 35 0A 1 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.514 34.3 175.4 -70.5 134.0 57.1 39.5 91.2 46 369 A V E - 0 0 1 -12,-3.2 16,-2.2 1,-0.5 17,-2.1 0.573 60.7 -32.7-112.4 -25.8 59.9 41.9 90.1 47 370 A G E -CD 34 61A 0 -13,-1.5 -13,-2.3 14,-0.2 -1,-0.5 -0.950 51.9-135.5 178.8 169.1 59.9 41.3 86.3 48 371 A L E -CD 33 60A 1 12,-1.6 12,-2.7 -2,-0.3 2,-0.3 -0.912 10.5-154.0-135.8 164.4 59.2 38.8 83.6 49 372 A S E -CD 32 59A 0 -17,-1.0 -17,-2.3 -2,-0.3 2,-0.3 -0.995 6.6-171.8-140.5 148.1 61.0 37.7 80.3 50 373 A F E -CD 31 58A 2 8,-1.3 8,-2.0 -2,-0.3 2,-0.4 -0.970 5.1-163.9-135.2 150.4 59.8 36.0 77.1 51 374 A A E +CD 30 57A 0 -21,-0.6 -21,-1.5 -2,-0.3 6,-0.3 -0.996 10.5 175.5-136.9 132.7 61.7 34.7 74.1 52 375 A I E S+ 0 0 48 4,-2.5 5,-0.1 1,-0.4 -24,-0.1 0.604 73.2 8.1-109.2 -18.8 60.1 33.9 70.8 53 376 A E E > S- D 0 56A 120 3,-1.3 3,-1.8 -24,-0.0 -1,-0.4 -0.977 99.5 -73.7-158.8 147.9 63.0 32.9 68.7 54 377 A P T 3 S+ 0 0 61 0, 0.0 3,-0.1 0, 0.0 127,-0.1 -0.297 125.3 11.1 -48.9 119.9 66.7 32.2 69.5 55 378 A G T 3 S+ 0 0 31 1,-0.1 2,-1.3 122,-0.1 125,-0.1 -0.089 107.0 99.1 97.7 -32.9 68.2 35.6 70.2 56 379 A V E < + D 0 53A 50 -3,-1.8 -4,-2.5 124,-0.1 -3,-1.3 -0.694 50.0 123.6 -92.9 92.1 64.8 37.3 70.2 57 380 A A E - D 0 51A 2 -2,-1.3 -49,-1.1 -51,-0.5 2,-0.3 -0.978 35.4-167.3-142.1 153.6 64.1 37.6 73.9 58 381 A A E -aD 8 50A 0 -8,-2.0 -8,-1.3 -51,-0.3 2,-0.4 -0.919 14.5-133.4-139.9 164.5 63.3 40.7 76.1 59 382 A Y E -aD 9 49A 0 -51,-5.7 -49,-3.9 -2,-0.3 -10,-0.2 -0.954 8.9-159.7-123.2 142.3 63.0 41.7 79.8 60 383 A I E - D 0 48A 0 -12,-2.7 -12,-1.6 -2,-0.4 2,-0.3 -0.961 9.5-157.9-120.1 105.6 60.2 43.7 81.3 61 384 A P E + D 0 47A 0 0, 0.0 12,-0.8 0, 0.0 -14,-0.2 -0.732 25.6 156.7 -82.8 138.1 61.1 45.3 84.7 62 385 A V S S+ 0 0 13 -16,-2.2 13,-0.6 -2,-0.3 -15,-0.2 0.470 71.8 25.6-131.9 -22.3 58.1 46.2 86.8 63 386 A A + 0 0 20 -17,-2.1 2,-0.5 11,-0.1 -16,-0.1 -0.071 68.9 137.2-139.4 36.6 59.3 46.3 90.4 64 387 A H + 0 0 7 -18,-0.2 101,-0.2 6,-0.1 100,-0.1 -0.785 23.4 174.0 -84.6 130.4 63.0 47.2 90.6 65 388 A D + 0 0 99 99,-1.7 100,-0.1 -2,-0.5 3,-0.1 -0.125 18.8 134.9-133.9 33.7 63.4 49.8 93.3 66 389 A Y S > S- 0 0 63 98,-0.5 3,-1.9 1,-0.2 2,-0.2 -0.107 72.0 -53.2 -70.9-178.7 67.0 50.6 94.0 67 390 A L T 3 S- 0 0 152 1,-0.3 -1,-0.2 98,-0.1 -2,-0.0 -0.415 126.0 -6.8 -60.8 120.6 68.4 54.1 94.5 68 391 A D T 3 S- 0 0 147 -2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.682 89.1-176.0 65.9 26.2 67.3 56.2 91.6 69 392 A A < - 0 0 30 -3,-1.9 -1,-0.2 1,-0.1 3,-0.1 -0.107 30.0-104.3 -54.2 143.2 65.8 53.3 89.6 70 393 A P - 0 0 64 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 -0.373 45.4 -90.7 -64.7 152.2 64.5 54.1 86.1 71 394 A D - 0 0 156 -2,-0.0 2,-0.3 1,-0.0 3,-0.0 -0.414 52.5-174.7 -66.7 141.6 60.7 54.4 85.7 72 395 A Q - 0 0 36 -10,-0.1 -10,-0.2 -3,-0.1 -61,-0.1 -0.848 35.4 -84.6-133.3 164.1 59.1 51.1 84.8 73 396 A I - 0 0 12 -12,-0.8 2,-0.2 -63,-0.3 -61,-0.1 -0.446 58.6-106.2 -63.1 145.0 55.6 49.8 83.8 74 397 A S > - 0 0 68 1,-0.1 4,-2.6 -2,-0.1 3,-0.3 -0.546 20.4-119.2 -75.0 154.2 53.7 49.1 87.1 75 398 A R H > S+ 0 0 71 -13,-0.6 4,-2.6 1,-0.2 5,-0.2 0.884 112.5 55.9 -56.7 -39.4 53.3 45.4 88.1 76 399 A E H > S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 111.9 38.4 -60.9 -47.7 49.5 45.9 87.9 77 400 A R H > S+ 0 0 67 -3,-0.3 4,-2.0 2,-0.2 5,-0.3 0.915 113.7 54.4 -71.8 -43.7 49.3 47.2 84.3 78 401 A A H >X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 3,-0.5 0.960 112.7 46.1 -56.3 -46.7 52.0 44.9 83.0 79 402 A L H 3X S+ 0 0 7 -4,-2.6 4,-3.3 -5,-0.3 -1,-0.2 0.885 108.0 53.9 -65.8 -41.0 50.0 42.0 84.4 80 403 A E H 3< S+ 0 0 116 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.776 114.2 43.0 -70.7 -18.9 46.6 43.2 83.1 81 404 A L H << S+ 0 0 8 -4,-2.0 4,-0.4 -3,-0.5 -1,-0.2 0.836 121.0 41.4 -84.7 -36.6 48.0 43.4 79.6 82 405 A L H >X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.3 3,-0.7 0.803 96.5 81.1 -78.0 -27.3 49.8 40.1 80.0 83 406 A K H 3X S+ 0 0 75 -4,-3.3 4,-3.0 1,-0.3 5,-0.3 0.881 88.3 49.7 -50.4 -57.9 47.0 38.2 81.8 84 407 A P H 34 S+ 0 0 76 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.802 115.3 45.7 -57.5 -30.7 44.8 37.2 78.9 85 408 A L H X4 S+ 0 0 2 -3,-0.7 3,-1.5 -4,-0.4 -2,-0.2 0.942 114.0 49.5 -72.5 -46.7 47.9 35.8 77.1 86 409 A L H 3< S+ 0 0 0 -4,-2.8 27,-2.0 1,-0.3 28,-0.8 0.870 113.7 44.2 -61.3 -36.8 49.0 34.1 80.3 87 410 A E T 3< S+ 0 0 41 -4,-3.0 2,-0.9 25,-0.2 -1,-0.3 0.402 86.6 110.2 -90.1 6.6 45.6 32.5 80.9 88 411 A D X - 0 0 61 -3,-1.5 3,-2.8 -5,-0.3 25,-0.0 -0.678 54.2-160.1 -88.1 110.9 45.1 31.4 77.3 89 412 A E T 3 S+ 0 0 116 -2,-0.9 -1,-0.2 1,-0.3 -4,-0.0 0.791 91.6 62.0 -57.8 -26.0 45.3 27.6 77.1 90 413 A K T 3 S+ 0 0 151 1,-0.1 2,-0.9 -3,-0.1 -1,-0.3 0.553 86.1 84.6 -77.4 -6.8 46.0 27.9 73.4 91 414 A A S < S- 0 0 4 -3,-2.8 2,-0.8 -6,-0.2 25,-0.2 -0.827 75.6-152.7 -96.4 100.3 49.2 29.9 74.2 92 415 A L E -b 28 0A 57 -2,-0.9 -63,-3.9 -65,-0.9 2,-0.2 -0.645 12.1-163.8 -86.0 110.6 51.7 27.2 74.8 93 416 A K E -be 29 115A 1 21,-2.8 24,-1.9 -2,-0.8 23,-0.9 -0.619 7.3-158.7 -93.3 152.9 54.4 28.4 77.1 94 417 A V E +be 30 117A 0 -65,-1.2 -63,-2.1 -2,-0.2 2,-0.3 -0.979 25.4 147.6-126.7 138.5 57.7 26.8 77.6 95 418 A G E - e 0 118A 0 22,-1.9 24,-1.7 -2,-0.4 2,-0.7 -0.978 50.9 -97.4-163.1 170.7 59.8 27.4 80.8 96 419 A Q S S- 0 0 39 -65,-0.3 5,-0.2 -2,-0.3 4,-0.1 -0.920 107.4 -11.4 -99.6 113.2 62.3 25.9 83.3 97 420 A N S >> S- 0 0 58 -2,-0.7 3,-1.2 1,-0.1 4,-0.9 0.992 72.6-172.7 56.7 73.8 60.4 24.7 86.3 98 421 A L H 3> S+ 0 0 0 -3,-0.3 4,-1.4 1,-0.3 -1,-0.1 0.396 71.8 79.3 -77.7 1.3 57.1 26.3 85.4 99 422 A K H 3> S+ 0 0 20 2,-0.2 4,-1.5 3,-0.1 -1,-0.3 0.805 94.6 47.4 -76.8 -33.2 55.6 25.2 88.8 100 423 A Y H <> S+ 0 0 38 -3,-1.2 4,-2.4 2,-0.2 3,-0.5 0.979 112.3 48.1 -65.0 -57.0 57.4 28.2 90.4 101 424 A D H X S+ 0 0 11 -4,-0.9 4,-2.4 1,-0.3 5,-0.2 0.832 109.2 54.7 -56.9 -33.1 56.2 30.5 87.8 102 425 A R H X S+ 0 0 18 -4,-1.4 4,-2.8 2,-0.2 10,-0.3 0.927 108.8 48.5 -67.2 -42.6 52.6 29.2 88.2 103 426 A G H X S+ 0 0 0 -4,-1.5 4,-1.7 -3,-0.5 -2,-0.2 0.918 111.8 47.7 -64.1 -46.6 52.7 29.9 91.9 104 427 A I H >< S+ 0 0 0 -4,-2.4 3,-0.7 2,-0.2 4,-0.4 0.962 115.0 45.7 -62.5 -48.8 54.0 33.4 91.5 105 428 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.0 1,-0.3 3,-2.0 0.916 107.1 59.1 -64.5 -33.3 51.4 34.2 88.9 106 429 A A H ><5S+ 0 0 22 -4,-2.8 3,-2.0 1,-0.3 -1,-0.3 0.875 94.3 66.8 -61.1 -31.1 48.8 32.5 91.0 107 430 A N T <<5S+ 0 0 51 -4,-1.7 -1,-0.3 -3,-0.7 -2,-0.2 0.683 101.6 47.1 -63.4 -19.7 49.7 35.1 93.7 108 431 A Y T < 5S- 0 0 56 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.298 126.9 -97.3-106.2 13.5 48.2 37.9 91.5 109 432 A G T < 5S+ 0 0 58 -3,-2.0 2,-0.6 1,-0.2 -3,-0.2 0.604 84.2 132.5 83.0 15.9 45.0 36.0 90.7 110 433 A I < - 0 0 4 -5,-2.0 2,-0.9 -6,-0.2 -1,-0.2 -0.877 46.6-153.0-105.9 120.7 46.4 34.7 87.4 111 434 A E - 0 0 52 -2,-0.6 2,-0.3 -3,-0.1 -8,-0.1 -0.803 18.7-137.2 -91.4 105.2 46.1 31.0 86.6 112 435 A L + 0 0 4 -2,-0.9 -25,-0.2 -10,-0.3 3,-0.1 -0.532 32.0 171.4 -62.1 127.4 48.9 30.2 84.2 113 436 A R + 0 0 140 -27,-2.0 2,-1.3 -2,-0.3 -26,-0.2 0.686 53.1 69.7-119.1 -26.8 47.4 28.0 81.6 114 437 A G + 0 0 2 -28,-0.8 2,-2.8 -29,-0.1 -21,-2.8 -0.168 55.5 156.4 -87.0 56.2 49.6 27.1 78.5 115 438 A I E +e 93 0A 26 -2,-1.3 3,-0.1 1,-0.2 -1,-0.1 -0.286 18.7 137.3 -78.6 67.8 51.9 24.9 80.7 116 439 A A E + 0 0 19 -2,-2.8 2,-0.4 -23,-0.9 -1,-0.2 0.925 59.0 22.1 -84.4 -47.8 53.0 22.9 77.6 117 440 A F E -e 94 0A 16 -24,-1.9 -22,-1.9 -3,-0.4 2,-0.7 -0.947 52.7-174.6-133.1 119.1 56.8 22.3 77.9 118 441 A D E >> -e 95 0A 2 -2,-0.4 4,-2.1 -24,-0.2 3,-0.9 -0.919 14.7-154.9-105.7 112.1 58.9 22.4 80.9 119 442 A T H 3> S+ 0 0 0 -24,-1.7 4,-2.7 -2,-0.7 5,-0.2 0.903 91.3 56.5 -52.7 -52.6 62.6 22.0 80.0 120 443 A M H 3> S+ 0 0 29 -25,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.846 111.7 45.5 -50.5 -33.6 63.8 20.5 83.4 121 444 A L H <> S+ 0 0 2 -3,-0.9 4,-3.2 2,-0.2 5,-0.3 0.923 106.8 55.7 -80.6 -38.8 61.2 17.8 82.9 122 445 A E H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.958 110.6 48.6 -54.5 -43.6 62.1 17.1 79.3 123 446 A S H X S+ 0 0 4 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.928 112.6 47.1 -58.4 -49.2 65.6 16.5 80.6 124 447 A Y H < S+ 0 0 5 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.914 114.5 45.8 -61.4 -44.9 64.4 14.3 83.4 125 448 A I H < S+ 0 0 17 -4,-3.2 366,-0.3 2,-0.2 -1,-0.2 0.744 112.1 54.2 -72.6 -22.6 62.1 12.2 81.0 126 449 A L H < S- 0 0 28 -4,-2.2 2,-0.4 -5,-0.3 -2,-0.2 0.986 134.5 -9.7 -74.3 -63.4 65.0 12.1 78.5 127 450 A N >< - 0 0 43 -4,-2.8 3,-1.3 1,-0.2 4,-0.3 -0.784 55.9-168.2-146.7 107.8 67.4 10.6 81.0 128 451 A S G > S+ 0 0 21 363,-0.5 3,-0.6 -2,-0.4 -1,-0.2 0.896 95.8 37.7 -49.4 -50.7 66.8 10.4 84.6 129 452 A V G 3 S+ 0 0 69 1,-0.2 -1,-0.3 205,-0.2 3,-0.1 0.494 85.4 105.9 -87.7 1.7 70.4 9.5 85.5 130 453 A A G < S- 0 0 46 -3,-1.3 2,-0.3 -7,-0.2 -1,-0.2 0.684 90.5 -89.1 -55.9 -22.2 71.9 11.9 82.9 131 454 A G S < S- 0 0 33 -3,-0.6 -1,-0.2 -4,-0.3 -4,-0.1 -0.843 72.4 -15.0 138.7-177.6 73.0 14.4 85.5 132 455 A R - 0 0 128 -2,-0.3 200,-0.1 1,-0.1 -3,-0.0 -0.277 53.0-149.5 -55.3 137.5 71.7 17.5 87.4 133 456 A H + 0 0 5 198,-0.3 2,-0.3 4,-0.1 -1,-0.1 0.078 52.3 122.5-103.5 26.9 68.6 18.9 85.6 134 457 A D S >> S- 0 0 52 1,-0.1 4,-2.3 -38,-0.0 3,-1.1 -0.639 74.7-109.8 -87.7 152.4 69.1 22.6 86.5 135 458 A M H 3> S+ 0 0 14 1,-0.3 4,-2.6 -2,-0.3 5,-0.2 0.821 115.3 56.4 -52.6 -40.9 69.2 25.0 83.7 136 459 A D H 3> S+ 0 0 58 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.895 112.7 43.9 -59.1 -36.3 72.9 25.9 84.1 137 460 A S H <> S+ 0 0 29 -3,-1.1 4,-2.8 2,-0.2 -1,-0.2 0.900 112.2 50.9 -74.5 -40.2 73.7 22.2 83.7 138 461 A L H X>S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.7 0.860 106.9 57.5 -65.9 -30.7 71.4 21.7 80.8 139 462 A A H X>S+ 0 0 0 -4,-2.6 6,-2.4 -5,-0.3 4,-1.1 0.915 110.6 40.6 -66.5 -45.3 73.0 24.7 79.1 140 463 A E H X5S+ 0 0 98 -4,-1.6 4,-1.0 4,-0.3 -2,-0.2 0.944 122.1 44.4 -69.7 -39.4 76.5 23.2 79.2 141 464 A R H <5S+ 0 0 82 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.975 124.3 25.4 -71.0 -61.1 75.1 19.8 78.3 142 465 A W H <5S+ 0 0 56 -4,-2.6 -3,-0.2 -5,-0.2 -1,-0.2 0.801 142.4 13.3 -75.7 -30.3 72.7 20.4 75.5 143 466 A L H <> - 0 0 38 -2,-0.9 3,-2.4 1,-0.1 4,-0.7 -0.556 17.9-117.8 -71.8 140.2 74.6 32.0 87.0 150 473 A F H 3> S+ 0 0 61 1,-0.3 4,-1.4 -2,-0.2 5,-0.3 0.839 110.4 67.6 -44.2 -39.8 72.3 33.9 89.4 151 474 A E H 3> S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.738 93.5 60.1 -59.4 -25.4 75.2 34.3 91.8 152 475 A E H <4 S+ 0 0 113 -3,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.980 110.4 35.0 -70.9 -54.5 76.9 36.6 89.4 153 476 A I H < S+ 0 0 16 -4,-0.7 -2,-0.2 -3,-0.2 -1,-0.2 0.622 129.5 36.2 -78.9 -8.8 74.3 39.4 89.1 154 477 A A H < S- 0 0 2 -4,-1.4 7,-3.0 1,-0.2 -1,-0.2 0.643 100.9-134.7-112.8 -19.3 73.2 39.1 92.7 155 478 A G < - 0 0 29 -4,-1.7 2,-0.3 -5,-0.3 -1,-0.2 -0.361 26.3 -87.0 89.2-177.4 76.4 38.3 94.6 156 479 A K S S+ 0 0 170 -2,-0.1 3,-0.4 3,-0.1 2,-0.2 -0.866 74.2 12.5-132.4 162.6 76.8 35.6 97.3 157 480 A G S > S- 0 0 58 -2,-0.3 3,-0.6 1,-0.2 0, 0.0 -0.481 112.1 -22.1 82.5-142.8 76.3 35.2 100.9 158 481 A K T 3 S+ 0 0 192 1,-0.2 2,-0.6 -2,-0.2 -1,-0.2 0.926 132.4 52.7 -76.4 -44.7 74.5 37.6 103.2 159 482 A N T 3 S+ 0 0 151 -3,-0.4 -1,-0.2 2,-0.0 2,-0.2 -0.068 77.7 145.4 -89.6 40.4 74.8 40.8 101.3 160 483 A Q < - 0 0 77 -2,-0.6 2,-0.3 -3,-0.6 -5,-0.2 -0.533 50.2-124.9 -75.6 135.1 73.3 39.0 98.3 161 484 A L - 0 0 71 -7,-3.0 2,-0.3 -2,-0.2 -1,-0.1 -0.616 16.4-134.1 -80.6 144.9 71.1 41.4 96.3 162 485 A T >> - 0 0 43 -2,-0.3 3,-2.4 1,-0.1 4,-1.0 -0.715 35.0 -97.1 -95.0 159.8 67.6 40.3 95.7 163 486 A F G >4 S+ 0 0 2 -128,-0.6 3,-0.8 1,-0.3 -127,-0.1 0.814 119.8 57.5 -49.8 -42.0 66.4 40.8 92.1 164 487 A N G 34 S+ 0 0 20 1,-0.3 -99,-1.7 -100,-0.1 -98,-0.5 0.642 107.7 49.9 -64.3 -14.3 64.6 44.2 92.6 165 488 A Q G <4 S+ 0 0 89 -3,-2.4 -1,-0.3 -101,-0.2 -2,-0.2 0.702 89.5 96.6 -93.1 -26.4 67.8 45.7 93.8 166 489 A I S << S- 0 0 5 -4,-1.0 -100,-0.1 -3,-0.8 -12,-0.1 -0.465 92.0 -94.5 -67.7 130.1 69.8 44.4 90.9 167 490 A A >> - 0 0 45 -2,-0.2 4,-2.9 -14,-0.1 3,-1.4 -0.162 32.0-114.9 -54.1 138.0 70.2 47.1 88.1 168 491 A L H 3> S+ 0 0 7 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.788 112.0 44.3 -39.5 -47.6 67.6 47.0 85.3 169 492 A E H 3> S+ 0 0 81 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.696 115.1 46.4 -78.7 -21.8 70.1 46.1 82.5 170 493 A E H <> S+ 0 0 71 -3,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.860 113.1 50.1 -82.9 -42.3 72.1 43.4 84.4 171 494 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.963 110.3 51.3 -55.3 -50.1 68.8 41.9 85.6 172 495 A G H X S+ 0 0 4 -4,-2.1 4,-2.9 -5,-0.3 5,-0.5 0.882 103.8 58.0 -53.2 -47.0 67.7 41.9 81.9 173 496 A R H X S+ 0 0 33 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.911 114.4 36.9 -52.5 -48.5 70.9 40.2 80.8 174 497 A Y H X S+ 0 0 37 -4,-2.0 4,-3.0 -3,-0.2 -2,-0.2 0.996 119.7 45.8 -68.0 -60.1 70.2 37.2 83.1 175 498 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.828 117.0 42.2 -56.7 -40.2 66.4 37.0 82.7 176 499 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.3 -1,-0.2 0.941 113.3 52.5 -76.8 -40.5 66.3 37.4 79.0 177 500 A E H X S+ 0 0 1 -4,-1.7 4,-2.7 -5,-0.5 5,-0.2 0.891 109.5 53.2 -57.9 -37.9 69.3 35.0 78.5 178 501 A D H X S+ 0 0 22 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.960 108.3 47.4 -58.3 -51.6 67.3 32.6 80.6 179 502 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -128,-0.2 0.921 113.3 49.1 -56.8 -46.6 64.3 32.8 78.5 180 503 A D H X S+ 0 0 14 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.916 111.8 46.3 -60.7 -51.1 66.3 32.4 75.3 181 504 A V H X S+ 0 0 0 -4,-2.7 4,-3.3 2,-0.2 5,-0.3 0.911 107.1 58.2 -61.5 -44.6 68.2 29.3 76.5 182 505 A T H X S+ 0 0 8 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.947 109.3 46.3 -48.1 -50.5 65.1 27.7 77.8 183 506 A L H X S+ 0 0 9 -4,-2.0 4,-2.1 1,-0.2 3,-0.3 0.950 112.2 48.3 -62.1 -51.6 63.7 27.9 74.3 184 507 A Q H X S+ 0 0 60 -4,-2.6 4,-1.6 1,-0.3 -1,-0.2 0.913 110.8 52.0 -56.3 -39.1 66.9 26.6 72.6 185 508 A L H X S+ 0 0 0 -4,-3.3 4,-2.7 1,-0.3 -1,-0.3 0.895 108.5 51.5 -64.3 -37.3 66.9 23.7 75.0 186 509 A H H X S+ 0 0 10 -4,-2.3 4,-2.2 -3,-0.3 -1,-0.3 0.866 105.4 55.9 -66.0 -35.0 63.3 23.0 74.1 187 510 A L H < S+ 0 0 84 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.836 112.6 41.3 -69.7 -30.5 64.3 23.0 70.5 188 511 A K H X S+ 0 0 104 -4,-1.6 4,-1.1 -3,-0.2 -2,-0.2 0.925 121.4 39.7 -79.7 -43.6 67.0 20.3 71.1 189 512 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.934 103.3 61.2 -76.1 -45.6 65.0 18.1 73.5 190 513 A W H X S+ 0 0 41 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.849 103.9 52.4 -55.3 -38.6 61.4 18.1 72.2 191 514 A P H > S+ 0 0 66 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.976 111.9 44.9 -58.1 -54.1 62.5 16.5 68.8 192 515 A D H < S+ 0 0 78 -4,-1.1 4,-0.5 1,-0.2 3,-0.3 0.806 111.8 54.2 -58.9 -35.4 64.4 13.6 70.6 193 516 A L H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 7,-0.5 0.952 101.8 56.9 -65.7 -44.8 61.5 13.2 72.9 194 517 A Q H 3< S+ 0 0 125 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.710 88.2 85.1 -58.0 -24.8 59.0 12.7 70.0 195 518 A K T 3< S+ 0 0 169 -4,-1.0 2,-0.5 -3,-0.3 -1,-0.2 0.871 97.1 22.8 -44.6 -50.5 61.1 9.9 68.8 196 519 A H <> - 0 0 66 -3,-1.1 4,-1.4 -4,-0.5 -1,-0.2 -0.934 68.4-140.5-140.1 116.0 59.7 7.1 70.8 197 520 A K H > S+ 0 0 116 -2,-0.5 4,-2.8 -3,-0.2 5,-0.2 0.571 88.5 75.7 -44.2 -28.6 56.3 7.1 72.4 198 521 A G H >> S+ 0 0 19 2,-0.2 4,-1.7 1,-0.2 3,-0.8 0.964 110.6 25.5 -50.6 -72.5 57.4 5.4 75.8 199 522 A P H 3> S+ 0 0 4 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.903 120.7 58.0 -56.7 -46.6 59.0 8.5 77.3 200 523 A L H 3X S+ 0 0 19 -4,-1.4 4,-2.9 -7,-0.5 -2,-0.2 0.847 104.7 52.2 -58.1 -33.6 56.9 10.9 75.2 201 524 A N H S+ 0 0 0 -4,-1.7 4,-2.5 -5,-0.2 5,-1.4 0.962 115.7 45.8 -57.4 -48.1 55.0 9.8 80.3 203 526 A F H <>S+ 0 0 1 -4,-2.8 5,-2.5 1,-0.2 3,-0.3 0.971 117.1 43.7 -56.0 -59.4 56.0 13.5 79.5 204 527 A E H <5S+ 0 0 91 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.810 128.7 23.1 -58.7 -35.7 52.7 14.2 77.7 205 528 A N H <5S+ 0 0 92 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.487 132.4 18.5-122.9 5.3 50.4 12.6 80.1 206 529 A I T X5S+ 0 0 0 -4,-2.5 4,-1.5 -3,-0.3 -3,-0.2 0.458 120.8 42.4-127.3 -70.7 51.9 12.3 83.6 207 530 A E H >4 S+ 0 0 49 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.739 107.0 63.0 -59.8 -15.6 49.8 17.8 83.7 210 533 A L H >X S+ 0 0 0 -4,-1.5 4,-2.1 -3,-0.2 3,-1.5 0.901 82.5 80.9 -75.0 -32.4 51.2 17.1 87.1 211 534 A V H S+ 0 0 22 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.796 111.5 56.5 -71.6 -20.5 50.2 22.7 88.3 213 536 A V H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 3,-1.4 0.962 113.1 46.9 -58.5 -49.5 49.9 21.0 96.9 218 541 A E H 3< S+ 0 0 24 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.902 112.1 50.1 -60.2 -38.9 52.9 23.1 98.0 219 542 A R H 3< S+ 0 0 46 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.641 112.2 47.8 -77.0 -12.1 50.9 26.2 98.3 220 543 A N H << S+ 0 0 46 -3,-1.4 -2,-0.2 -4,-1.1 -3,-0.2 0.885 88.7 162.4 -85.7 -55.7 48.3 24.5 100.4 221 544 A G < - 0 0 0 -4,-2.6 2,-0.3 324,-0.2 104,-0.2 -0.205 39.2 -66.0 69.4-167.5 50.8 22.9 102.6 222 545 A V B -F 324 0B 2 102,-2.7 102,-3.2 -4,-0.1 2,-0.4 -0.869 29.6-129.4-127.0 150.3 50.0 21.5 106.0 223 546 A K E -G 363 0C 74 140,-0.5 140,-1.1 -2,-0.3 2,-0.3 -0.813 31.4-169.2 -93.1 131.4 48.9 22.8 109.3 224 547 A I E -G 362 0C 5 -2,-0.4 138,-0.2 98,-0.4 137,-0.1 -0.934 23.7-129.9-127.3 150.5 51.0 21.7 112.3 225 548 A D > - 0 0 43 136,-2.4 4,-1.1 -2,-0.3 3,-0.3 -0.776 16.2-168.3 -99.4 95.2 50.6 21.9 116.1 226 549 A P H > S+ 0 0 61 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.692 82.8 64.8 -55.0 -20.9 53.9 23.4 117.5 227 550 A K H >> S+ 0 0 117 2,-0.2 4,-1.6 1,-0.2 3,-0.6 1.000 98.3 49.6 -67.3 -59.6 52.7 22.4 121.0 228 551 A V H 3> S+ 0 0 33 -3,-0.3 4,-2.2 1,-0.3 -1,-0.2 0.796 110.5 51.6 -49.3 -38.9 52.7 18.6 120.5 229 552 A L H 3X S+ 0 0 1 -4,-1.1 4,-1.3 1,-0.2 -1,-0.3 0.951 105.6 55.2 -66.7 -43.2 56.2 18.7 119.0 230 553 A H H XX S+ 0 0 111 -4,-1.7 4,-2.1 -3,-0.6 3,-0.5 0.887 108.3 48.0 -57.3 -43.4 57.5 20.7 122.0 231 554 A N H 3X S+ 0 0 98 -4,-1.6 4,-2.5 1,-0.3 -1,-0.2 0.973 112.4 49.1 -61.1 -48.9 56.3 18.1 124.5 232 555 A H H 3X S+ 0 0 1 -4,-2.2 4,-1.8 1,-0.2 -1,-0.3 0.661 108.2 56.3 -64.7 -16.0 57.9 15.3 122.3 233 556 A S H X S+ 0 0 101 -4,-8.8 4,-1.4 1,-0.3 3,-0.9 0.933 112.9 53.5 -55.1 -41.7 72.5 2.8 128.4 247 570 A A H 3< S+ 0 0 8 -4,-3.6 -1,-0.3 -5,-0.4 3,-0.2 0.888 110.9 45.6 -58.8 -40.5 75.2 3.6 125.9 248 571 A H H >< S+ 0 0 76 -4,-2.0 3,-1.7 -5,-0.3 -1,-0.3 0.677 97.1 70.5 -81.2 -12.7 77.5 4.0 128.8 249 572 A E H << S+ 0 0 179 -4,-1.4 -1,-0.2 -3,-0.9 -2,-0.2 0.877 99.8 52.0 -69.2 -30.2 76.3 0.9 130.5 250 573 A I T 3< S- 0 0 49 -4,-1.4 -1,-0.3 -3,-0.2 42,-0.2 0.274 121.5 -80.5 -85.7 16.4 78.1 -0.8 127.6 251 574 A A < + 0 0 44 -3,-1.7 2,-0.4 40,-0.1 -1,-0.2 -0.623 61.8 33.7 150.8 149.9 81.3 1.3 128.5 252 575 A G - 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L 0 585F 2 176,-1.7 2,-0.8 -2,-0.4 3,-0.4 -0.654 34.5-123.8 -80.6 115.7 47.8 2.1 97.9 376 707 A S S S- 0 0 5 208,-2.6 208,-0.2 -2,-0.7 5,-0.2 -0.431 73.0 -50.3 -62.7 97.3 47.7 -1.4 99.5 377 708 A Q S >> S+ 0 0 58 -2,-0.8 3,-2.5 1,-0.1 4,-1.0 0.628 77.7 176.5 39.1 36.5 51.2 -2.7 98.9 378 709 A I H 3> + 0 0 1 -3,-0.4 4,-2.6 1,-0.3 5,-0.2 0.625 67.0 65.5 -40.1 -33.7 50.8 -1.8 95.2 379 710 A E H 3> S+ 0 0 24 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.881 103.9 46.4 -65.1 -34.9 54.4 -2.9 94.2 380 711 A L H <> S+ 0 0 5 -3,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.875 113.6 48.2 -73.7 -34.8 53.5 -6.5 95.0 381 712 A R H X S+ 0 0 23 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.871 114.1 48.6 -69.8 -31.9 50.3 -6.2 93.0 382 713 A I H X S+ 0 0 1 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.915 111.8 47.2 -71.3 -43.3 52.4 -4.6 90.3 383 714 A M H >X S+ 0 0 4 -4,-2.9 4,-1.3 2,-0.2 3,-0.8 0.945 109.5 54.5 -64.9 -41.4 54.9 -7.4 90.5 384 715 A A H >X>S+ 0 0 2 -4,-2.9 4,-0.7 1,-0.3 5,-0.7 0.917 110.9 46.5 -56.1 -42.5 52.0 -9.8 90.4 385 716 A H H 3<5S+ 0 0 54 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.705 110.8 52.4 -72.3 -25.2 50.9 -8.0 87.2 386 717 A L H <<5S+ 0 0 28 -4,-1.4 -1,-0.2 -3,-0.8 -2,-0.2 0.634 111.5 44.2 -87.6 -11.5 54.4 -8.1 85.6 387 718 A S H <<5S- 0 0 0 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.466 91.1-139.2-109.7 -7.1 55.0 -11.8 86.1 388 719 A R T <5 + 0 0 167 -4,-0.7 2,-1.2 1,-0.2 -3,-0.1 0.753 41.6 163.6 52.8 28.3 51.6 -13.1 84.9 389 720 A D >< - 0 0 14 -5,-0.7 4,-2.7 1,-0.2 3,-0.3 -0.623 30.5-157.4 -83.3 101.5 51.8 -15.6 87.7 390 721 A K H > S+ 0 0 157 -2,-1.2 4,-2.8 1,-0.2 5,-0.2 0.759 89.8 60.5 -46.1 -34.8 48.2 -16.9 88.1 391 722 A G H > S+ 0 0 35 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.992 111.0 37.2 -59.1 -59.6 49.0 -17.9 91.7 392 723 A L H > S+ 0 0 6 -3,-0.3 4,-2.0 1,-0.2 5,-0.2 0.900 115.7 55.9 -62.0 -39.8 49.8 -14.4 92.8 393 724 A L H X S+ 0 0 79 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.931 110.8 44.2 -56.4 -44.4 47.0 -13.1 90.6 394 725 A T H X S+ 0 0 49 -4,-2.8 4,-2.2 2,-0.2 6,-0.3 0.890 104.6 61.9 -72.1 -36.5 44.5 -15.3 92.3 395 726 A A H <>S+ 0 0 6 -4,-2.4 5,-2.5 1,-0.3 3,-0.3 0.974 113.3 38.2 -51.2 -50.9 45.7 -14.5 95.8 396 727 A F H ><5S+ 0 0 17 -4,-2.0 3,-1.3 1,-0.2 -1,-0.3 0.847 108.6 64.8 -70.4 -32.4 44.8 -11.0 95.1 397 728 A A H 3<5S+ 0 0 83 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.898 110.9 33.8 -60.5 -41.3 41.6 -11.9 93.2 398 729 A E T 3<5S- 0 0 123 -4,-2.2 -1,-0.3 -3,-0.3 -2,-0.2 0.090 118.2-104.3-103.6 24.8 39.8 -13.5 96.2 399 730 A G T < 5 + 0 0 67 -3,-1.3 2,-0.2 1,-0.2 -3,-0.2 0.726 58.9 165.5 66.4 26.2 41.3 -11.1 98.8 400 731 A K < - 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0 0 5 -3,-1.5 -3,-0.2 -4,-0.3 2,-0.1 0.785 45.0-158.6 59.4 31.2 65.6 -7.5 93.7 437 768 A M < - 0 0 27 -5,-2.7 2,-1.7 -6,-0.2 -1,-0.2 -0.170 14.3-133.8 -55.7 114.2 67.0 -9.0 96.8 438 769 A S > - 0 0 33 -3,-0.2 3,-2.5 -2,-0.1 2,-1.1 -0.518 35.9-106.8 -67.9 77.8 70.0 -11.0 96.1 439 770 A A T >> S+ 0 0 24 -2,-1.7 4,-1.8 1,-0.3 3,-1.4 0.150 121.8 56.9 30.2 -64.2 69.2 -14.2 98.2 440 771 A F H 3> S+ 0 0 116 -2,-1.1 4,-2.0 1,-0.3 -1,-0.3 0.859 96.7 67.9 -56.0 -34.0 71.9 -13.4 100.9 441 772 A G H <> S+ 0 0 0 -3,-2.5 4,-1.0 2,-0.2 -1,-0.3 0.842 101.3 45.4 -51.8 -37.5 69.9 -10.2 101.2 442 773 A L H X> S+ 0 0 1 -3,-1.4 4,-3.4 2,-0.2 3,-0.8 0.959 110.6 52.3 -72.1 -49.4 67.1 -12.3 102.6 443 774 A A H 3<>S+ 0 0 3 -4,-1.8 5,-0.8 1,-0.3 -2,-0.2 0.726 116.0 41.5 -60.8 -21.5 69.5 -14.2 104.9 444 775 A R H ><5S+ 0 0 90 -4,-2.0 3,-0.6 3,-0.2 -1,-0.3 0.599 118.0 45.4-100.0 -17.4 70.8 -10.8 106.2 445 776 A Q H <<5S+ 0 0 119 -4,-1.0 2,-1.9 -3,-0.8 -2,-0.2 0.896 123.2 34.9 -86.2 -53.5 67.3 -9.2 106.4 446 777 A L T 3<5S- 0 0 29 -4,-3.4 2,-1.2 -5,-0.2 -1,-0.3 -0.632 107.2-163.0 -89.0 70.0 65.8 -12.2 108.0 447 778 A N T < 5 + 0 0 80 -2,-1.9 -3,-0.2 -3,-0.6 -4,-0.1 -0.498 58.3 60.1 -74.4 93.5 69.2 -12.4 109.6 448 779 A I S > S- 0 0 171 -2,-0.1 3,-1.8 -3,-0.1 4,-0.5 0.093 78.3 -5.5-125.7-110.8 72.3 -19.3 105.6 451 782 A K H 3> S+ 0 0 158 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.579 114.5 87.8 -68.5 -1.5 71.4 -21.4 102.5 452 783 A E H 3> S+ 0 0 94 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.898 87.8 52.0 -58.8 -35.2 68.0 -22.0 104.2 453 784 A A H <> S+ 0 0 2 -3,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.874 105.3 53.6 -66.7 -38.4 67.1 -18.7 102.3 454 785 A Q H X S+ 0 0 96 -4,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.964 109.4 48.4 -61.1 -48.6 68.4 -20.3 99.1 455 786 A K H X S+ 0 0 104 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.916 110.7 52.2 -58.6 -42.4 66.1 -23.2 99.8 456 787 A Y H X S+ 0 0 33 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.928 107.3 50.7 -59.0 -47.8 63.3 -20.7 100.4 457 788 A M H X S+ 0 0 12 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.923 110.3 51.3 -58.1 -42.2 63.9 -18.9 97.1 458 789 A D H X S+ 0 0 93 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.949 110.4 47.6 -58.2 -52.7 63.8 -22.3 95.3 459 790 A L H X S+ 0 0 48 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.859 113.6 48.1 -60.3 -37.3 60.5 -23.2 96.9 460 791 A Y H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.928 113.5 45.8 -70.2 -46.2 59.0 -19.8 96.1 461 792 A F H < S+ 0 0 33 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.779 109.8 54.8 -70.1 -25.2 60.1 -19.8 92.4 462 793 A E H < S+ 0 0 134 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.877 117.7 36.2 -72.7 -37.0 58.9 -23.5 92.0 463 794 A R H < S+ 0 0 83 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.737 131.5 33.9 -84.7 -21.9 55.5 -22.4 93.2 464 795 A Y >X + 0 0 11 -4,-2.1 4,-0.7 -5,-0.2 3,-0.6 -0.648 64.7 157.3-131.6 78.1 55.8 -19.0 91.4 465 796 A P H >> + 0 0 64 0, 0.0 4,-2.1 0, 0.0 3,-0.8 0.933 68.9 70.7 -67.2 -40.6 57.8 -19.5 88.2 466 797 A G H 3> S+ 0 0 1 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.767 90.3 62.2 -46.1 -34.1 56.4 -16.3 86.6 467 798 A V H <> S+ 0 0 0 -3,-0.6 4,-2.6 1,-0.2 -1,-0.3 0.969 110.9 35.4 -65.2 -49.7 58.4 -14.2 89.1 468 799 A L H S+ 0 0 68 -4,-2.7 4,-2.2 1,-0.2 6,-0.8 0.781 110.3 64.1 -64.0 -19.8 66.4 -6.4 78.3 478 809 A A H X5S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.2 5,-0.3 0.991 111.1 32.9 -64.8 -57.1 68.5 -4.6 80.9 479 810 A K H <5S+ 0 0 80 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.858 121.9 52.0 -66.2 -36.5 71.9 -5.7 79.3 480 811 A E H <5S+ 0 0 165 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.918 123.6 19.8 -65.2 -55.5 70.4 -5.6 75.8 481 812 A Q H <5S- 0 0 75 -4,-2.2 -3,-0.2 2,-0.3 -2,-0.2 0.711 98.3-119.9 -92.0 -26.9 68.9 -2.2 75.5 482 813 A G S < - 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