==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-APR-07 2POC . COMPND 2 MOLECULE: ISOMERASE DOMAIN OF GLUTAMINE-FRUCTOSE-6-PHOSPHAT . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ALBICANS; . AUTHOR J.RACZYNSKA,J.OLCHOWY,S.MILEWSKI,W.RYPNIEWSKI . 1383 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48201.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1030 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 180 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 81 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 176 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 522 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 2.0 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 1 7 4 4 0 7 0 2 7 0 0 4 0 4 5 3 0 2 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 4 12 8 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 . 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 348 A G 0 0 92 0, 0.0 8,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-126.2 78.7 -21.0 27.3 2 349 A P + 0 0 123 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.560 360.0 107.0 -60.3 -5.8 80.0 -24.6 27.7 3 350 A Y - 0 0 78 1,-0.1 3,-0.0 3,-0.0 6,-0.0 -0.638 62.6-153.9 -94.4 129.8 76.4 -25.4 28.7 4 351 A K S S+ 0 0 125 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.897 82.3 11.8 -52.1 -46.1 73.8 -27.3 26.7 5 352 A H S > S- 0 0 38 1,-0.1 4,-2.3 335,-0.0 3,-0.2 -0.920 71.9-113.4-138.7 157.5 70.9 -25.5 28.6 6 353 A F H > S+ 0 0 95 -2,-0.3 4,-2.7 1,-0.2 147,-0.3 0.867 117.3 55.6 -55.8 -39.0 70.0 -22.6 30.9 7 354 A M H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.897 107.6 47.4 -64.2 -42.5 69.0 -25.1 33.6 8 355 A Q H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 112.6 50.4 -61.4 -46.5 72.4 -26.9 33.4 9 356 A K H X S+ 0 0 88 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.932 111.1 48.1 -54.0 -49.3 74.2 -23.5 33.6 10 357 A E H < S+ 0 0 4 -4,-2.7 4,-0.3 2,-0.2 -2,-0.2 0.831 110.7 51.2 -68.6 -33.0 72.1 -22.4 36.6 11 358 A I H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.947 113.6 44.2 -62.0 -49.2 72.8 -25.7 38.4 12 359 A F H 3< S+ 0 0 45 -4,-2.4 -2,-0.2 1,-0.3 4,-0.2 0.694 104.1 66.0 -72.0 -18.2 76.5 -25.3 37.8 13 360 A E T >X S+ 0 0 52 -4,-1.5 4,-2.4 1,-0.2 3,-0.9 0.511 73.8 98.8 -73.8 -10.7 76.3 -21.6 38.8 14 361 A Q H <> S+ 0 0 0 -3,-1.4 4,-2.7 -4,-0.3 5,-0.3 0.786 72.4 58.2 -60.3 -32.6 75.4 -22.6 42.5 15 362 A P H 3> S+ 0 0 9 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.940 115.3 40.5 -57.5 -38.6 78.9 -22.2 44.0 16 363 A D H <> S+ 0 0 102 -3,-0.9 4,-2.7 -4,-0.2 -2,-0.2 0.868 116.4 46.9 -75.9 -41.6 78.7 -18.6 42.8 17 364 A S H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.894 111.7 51.9 -69.2 -35.2 75.0 -17.9 43.7 18 365 A A H X S+ 0 0 0 -4,-2.7 4,-1.3 -5,-0.2 -2,-0.2 0.931 113.5 44.9 -64.1 -44.7 75.5 -19.5 47.1 19 366 A F H X S+ 0 0 101 -4,-1.8 4,-1.4 -5,-0.3 3,-0.4 0.939 111.9 52.3 -60.9 -45.2 78.5 -17.1 47.6 20 367 A N H < S+ 0 0 50 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.854 104.4 55.8 -63.3 -37.0 76.6 -14.1 46.3 21 368 A T H < S+ 0 0 0 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.877 114.8 39.4 -62.5 -37.8 73.7 -14.7 48.6 22 369 A M H >X S+ 0 0 7 -4,-1.3 3,-2.4 -3,-0.4 4,-1.1 0.652 88.1 123.3 -81.5 -19.6 76.1 -14.6 51.6 23 370 A R T 3< S- 0 0 144 -4,-1.4 -3,-0.0 1,-0.3 -4,-0.0 -0.184 86.2 -0.8 -55.9 126.5 78.2 -11.7 50.2 24 371 A G T 34 S+ 0 0 80 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.477 122.3 79.1 76.3 0.3 78.4 -8.7 52.5 25 372 A R T <4 S+ 0 0 35 -3,-2.4 9,-3.0 1,-0.2 2,-0.5 0.578 82.8 55.6-117.8 -17.6 76.2 -10.4 55.1 26 373 A I E < -A 33 0A 18 -4,-1.1 2,-0.9 7,-0.2 -2,-0.3 -0.972 54.9-161.5-125.7 124.8 78.5 -12.8 56.9 27 374 A D E >> -A 32 0A 59 5,-3.2 5,-1.8 -2,-0.5 4,-1.4 -0.891 13.9-171.8 -92.4 105.0 81.7 -12.1 58.7 28 375 A F T 45S+ 0 0 33 -2,-0.9 -1,-0.2 3,-0.2 165,-0.1 0.763 78.9 52.6 -75.9 -24.0 83.2 -15.6 58.8 29 376 A E T 45S+ 0 0 132 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.956 121.9 28.3 -75.5 -49.1 86.0 -14.6 61.1 30 377 A N T 45S- 0 0 115 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.593 105.4-127.1 -87.7 -8.8 83.9 -13.0 63.8 31 378 A C T <5 + 0 0 11 -4,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.962 56.0 148.9 62.4 57.3 80.9 -15.2 63.0 32 379 A V E < -A 27 0A 69 -5,-1.8 -5,-3.2 157,-0.1 2,-0.5 -0.984 34.4-156.9-127.1 126.7 78.5 -12.3 62.6 33 380 A V E -A 26 0A 13 -2,-0.4 2,-0.5 -7,-0.2 -7,-0.2 -0.921 10.3-175.2-105.0 129.5 75.5 -12.2 60.3 34 381 A T - 0 0 86 -9,-3.0 2,-0.8 -2,-0.5 3,-0.1 -0.938 8.0-175.8-129.0 110.0 74.2 -8.9 59.2 35 382 A L >> - 0 0 7 -2,-0.5 3,-1.7 1,-0.2 4,-1.4 -0.871 10.7-161.2-107.4 105.2 71.1 -8.6 57.1 36 383 A G T 34 S+ 0 0 59 -2,-0.8 4,-0.3 1,-0.3 3,-0.3 0.826 86.6 56.5 -57.7 -39.8 70.5 -5.0 56.1 37 384 A G T 34 S+ 0 0 41 1,-0.2 106,-0.5 2,-0.1 -1,-0.3 0.713 115.9 35.7 -60.5 -23.9 66.9 -5.4 55.3 38 385 A L T X> S+ 0 0 0 -3,-1.7 3,-3.2 104,-0.1 4,-1.2 0.569 83.9 112.6-108.2 -16.0 66.0 -6.8 58.7 39 386 A K G >< S+ 0 0 165 -4,-1.4 3,-0.6 1,-0.3 4,-0.3 0.736 87.0 28.0 -26.2 -63.3 68.3 -4.8 60.9 40 387 A S G 34 S+ 0 0 91 -4,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.332 117.8 59.7 -95.1 8.7 65.8 -2.7 62.8 41 388 A W G <> S+ 0 0 80 -3,-3.2 4,-2.6 2,-0.1 3,-0.3 0.523 78.9 87.3-109.4 -11.4 63.0 -5.2 62.6 42 389 A L H S+ 0 0 70 -4,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.882 111.6 46.7 -63.9 -34.1 63.7 -7.2 67.9 44 391 A T H >4 S+ 0 0 37 -3,-0.3 3,-1.2 1,-0.2 4,-0.3 0.938 111.7 49.3 -71.7 -49.8 60.0 -7.0 66.8 45 392 A I H >< S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.898 104.7 60.9 -54.5 -40.2 60.2 -10.3 64.9 46 393 A R H 3< S+ 0 0 81 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.725 104.2 50.4 -62.2 -19.3 61.8 -12.0 68.0 47 394 A R T << S+ 0 0 45 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.387 83.0 116.9-104.6 5.8 58.8 -11.2 70.2 48 395 A C S < S- 0 0 10 -3,-1.4 49,-0.2 -4,-0.3 3,-0.1 -0.115 72.1-117.6 -70.8 168.4 55.9 -12.5 68.0 49 396 A R S S- 0 0 52 47,-2.6 2,-0.3 1,-0.3 48,-0.2 0.867 88.4 -21.6 -68.3 -42.2 53.5 -15.3 69.0 50 397 A R E -b 97 0B 15 46,-0.8 48,-2.3 26,-0.1 2,-0.4 -0.981 56.8-119.5-164.9 160.2 54.6 -17.4 66.0 51 398 A I E -bc 98 78B 0 26,-2.8 28,-2.2 -2,-0.3 2,-0.5 -0.923 22.2-165.3-108.6 131.4 56.3 -17.4 62.6 52 399 A I E -bc 99 79B 0 46,-2.6 48,-2.9 -2,-0.4 2,-0.4 -0.984 6.9-155.4-116.8 120.1 54.2 -18.7 59.6 53 400 A M E -bc 100 80B 1 26,-3.1 28,-3.2 -2,-0.5 2,-0.4 -0.813 14.8-170.8 -95.3 131.8 56.3 -19.4 56.5 54 401 A I E +bc 101 81B 0 46,-3.1 48,-1.5 -2,-0.4 2,-0.3 -0.986 20.3 127.5-132.5 126.6 54.1 -19.2 53.4 55 402 A A E - c 0 82B 0 26,-1.9 28,-2.5 -2,-0.4 2,-0.3 -0.949 41.5-120.6-166.8 170.4 55.2 -20.2 49.9 56 403 A C >> - 0 0 21 46,-0.5 3,-1.3 -2,-0.3 4,-1.0 -0.924 66.0 -25.8-122.6 154.2 54.5 -22.2 46.7 57 404 A G H 3> S+ 0 0 24 -2,-0.3 4,-1.8 1,-0.3 3,-0.3 -0.109 128.5 0.7 53.8-134.0 56.4 -25.0 44.9 58 405 A T H 3> S+ 0 0 12 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.853 132.8 58.3 -63.2 -28.4 60.2 -25.1 45.4 59 406 A S H <> S+ 0 0 13 -3,-1.3 4,-1.4 1,-0.2 -1,-0.3 0.862 102.8 53.0 -71.0 -36.7 60.0 -22.0 47.7 60 407 A Y H X S+ 0 0 57 -4,-1.0 4,-2.4 -3,-0.3 -1,-0.2 0.899 107.6 54.0 -61.3 -41.9 57.6 -24.0 50.0 61 408 A H H X S+ 0 0 18 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.918 101.9 55.2 -56.1 -42.0 60.3 -26.7 50.0 62 409 A S H X S+ 0 0 0 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.845 107.7 52.4 -64.1 -28.0 63.0 -24.3 51.1 63 410 A C H >X S+ 0 0 0 -4,-1.4 4,-1.2 2,-0.2 3,-1.2 0.951 109.6 46.2 -70.6 -47.0 60.7 -23.5 54.0 64 411 A L H 3X S+ 0 0 42 -4,-2.4 4,-0.5 1,-0.2 3,-0.5 0.892 108.9 58.1 -55.7 -42.2 60.3 -27.1 55.0 65 412 A A H 3< S+ 0 0 5 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.654 117.8 31.1 -60.5 -19.9 64.1 -27.5 54.6 66 413 A T H S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.876 110.0 51.4 -65.5 -37.8 66.7 -24.7 62.4 70 417 A F H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 6,-0.5 0.940 114.1 44.7 -57.0 -49.3 64.3 -21.8 62.9 71 418 A E H X S+ 0 0 2 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.926 116.0 46.6 -60.7 -46.6 62.6 -23.7 65.6 72 419 A E H < S+ 0 0 44 -4,-3.4 -2,-0.2 -5,-0.2 -1,-0.2 0.933 118.5 38.5 -61.7 -46.9 65.9 -24.8 67.2 73 420 A L H < S+ 0 0 4 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.821 129.0 28.1 -79.5 -32.2 67.7 -21.5 67.2 74 421 A T H < S- 0 0 26 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.699 80.4-143.4-101.7 -23.0 64.7 -19.2 68.1 75 422 A E < + 0 0 69 -4,-2.0 -4,-0.1 -5,-0.4 -3,-0.1 0.747 58.3 132.7 53.8 24.3 62.3 -21.3 70.1 76 423 A I S S- 0 0 13 -6,-0.5 -1,-0.3 -5,-0.1 -2,-0.2 -0.872 70.3-102.9 -96.0 138.8 59.5 -19.5 68.4 77 424 A P - 0 0 8 0, 0.0 -26,-2.8 0, 0.0 2,-0.5 -0.388 43.6-166.8 -58.5 135.1 56.7 -21.7 67.0 78 425 A V E -c 51 0B 3 -28,-0.2 2,-0.3 -2,-0.1 -26,-0.2 -0.989 9.6-178.4-130.5 125.7 57.2 -22.1 63.3 79 426 A S E -c 52 0B 14 -28,-2.2 -26,-3.1 -2,-0.5 2,-0.5 -0.898 17.1-142.7-118.5 158.6 54.7 -23.5 60.9 80 427 A V E -c 53 0B 22 -2,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.985 20.0-173.1-125.4 123.3 55.1 -23.9 57.1 81 428 A E E -c 54 0B 4 -28,-3.2 -26,-1.9 -2,-0.5 2,-0.5 -0.921 26.6-131.8-120.2 134.3 52.0 -23.3 54.8 82 429 A L E > -c 55 0B 25 -2,-0.4 4,-2.5 -28,-0.2 3,-0.3 -0.768 32.1-128.3 -75.6 130.0 51.5 -23.9 51.1 83 430 A A H > S+ 0 0 0 -28,-2.5 4,-1.9 -2,-0.5 5,-0.2 0.862 103.7 46.7 -55.1 -44.2 50.0 -20.5 50.0 84 431 A S H > S+ 0 0 1 -29,-0.2 4,-2.9 1,-0.2 -1,-0.3 0.922 114.5 46.3 -66.6 -41.7 46.9 -22.0 48.2 85 432 A D H > S+ 0 0 30 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.882 109.3 55.3 -68.5 -38.2 46.0 -24.3 51.1 86 433 A F H <>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 4,-0.3 0.914 114.2 41.8 -56.9 -45.1 46.5 -21.5 53.7 87 434 A L H ><5S+ 0 0 33 -4,-1.9 3,-1.1 -5,-0.3 -2,-0.2 0.896 110.4 56.2 -70.0 -46.1 44.0 -19.5 51.7 88 435 A D H 3<5S+ 0 0 38 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.854 112.2 42.9 -53.2 -39.6 41.7 -22.5 51.1 89 436 A R T 3<5S- 0 0 28 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.514 103.0-134.3 -79.8 -8.7 41.4 -23.0 54.9 90 437 A R T < 5 - 0 0 156 -3,-1.1 -3,-0.2 -4,-0.3 -4,-0.1 0.932 29.3-156.8 47.2 50.7 41.0 -19.2 55.5 91 438 A S < - 0 0 1 -5,-2.0 -1,-0.2 -6,-0.1 2,-0.1 -0.338 14.9-117.4 -62.1 123.5 43.6 -19.7 58.3 92 439 A P - 0 0 25 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.426 35.1-176.2 -61.1 136.0 43.2 -16.9 60.8 93 440 A V - 0 0 2 -2,-0.1 2,-0.2 24,-0.1 30,-0.1 -0.962 2.8-171.7-129.0 158.1 46.2 -14.6 61.2 94 441 A F > - 0 0 31 -2,-0.3 3,-2.3 28,-0.1 30,-0.3 -0.807 42.6 -83.5-139.2 175.8 46.6 -11.6 63.6 95 442 A R T 3 S+ 0 0 54 1,-0.3 29,-0.4 -2,-0.2 27,-0.1 0.818 121.5 57.6 -49.9 -35.4 48.8 -8.7 64.7 96 443 A D T 3 S+ 0 0 24 27,-0.1 -47,-2.6 -48,-0.1 -46,-0.8 0.350 87.3 96.9 -85.8 4.5 51.1 -11.0 66.7 97 444 A D E < -b 50 0B 0 -3,-2.3 27,-2.3 -49,-0.2 2,-0.6 -0.719 60.9-151.3 -91.9 143.8 52.0 -13.2 63.8 98 445 A T E -bd 51 124B 2 -48,-2.3 -46,-2.6 -2,-0.3 2,-0.5 -0.986 17.1-161.8-110.9 118.3 55.2 -12.8 61.7 99 446 A C E -bd 52 125B 0 25,-3.1 27,-2.5 -2,-0.6 2,-0.6 -0.927 0.4-159.9-108.1 123.7 54.4 -14.1 58.2 100 447 A V E -bd 53 126B 1 -48,-2.9 -46,-3.1 -2,-0.5 2,-0.5 -0.899 3.8-160.8-111.4 120.8 57.4 -14.9 56.1 101 448 A F E -bd 54 127B 0 25,-3.6 27,-2.6 -2,-0.6 2,-0.5 -0.890 3.5-166.9-109.7 125.5 56.9 -15.1 52.4 102 449 A V E + d 0 128B 0 -48,-1.5 -46,-0.5 -2,-0.5 2,-0.3 -0.945 21.6 146.9-115.0 128.8 59.4 -16.9 50.2 103 450 A S E - d 0 129B 3 25,-2.3 27,-1.2 -2,-0.5 28,-0.2 -0.936 39.4-154.1-161.5 131.2 59.4 -16.5 46.4 104 451 A Q S S+ 0 0 43 -2,-0.3 27,-2.0 25,-0.2 26,-1.0 0.974 103.6 31.6 -66.7 -54.7 62.0 -16.4 43.6 105 452 A S S S- 0 0 38 25,-0.2 30,-0.2 24,-0.1 -1,-0.1 0.735 89.2-142.1 -77.5 -26.5 59.8 -14.2 41.3 106 453 A G S S+ 0 0 0 22,-0.1 30,-2.3 28,-0.1 31,-0.2 0.611 86.2 81.0 66.0 14.3 58.0 -12.2 43.9 107 454 A E + 0 0 90 28,-0.2 5,-0.1 27,-0.1 -1,-0.0 0.378 47.8 136.2-128.3 -0.1 54.9 -12.5 41.6 108 455 A T > - 0 0 55 1,-0.1 4,-2.5 2,-0.1 5,-0.2 -0.358 53.1-135.5 -62.6 129.1 53.3 -15.9 42.2 109 456 A A H > S+ 0 0 70 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.880 100.3 45.5 -53.2 -53.0 49.5 -15.3 42.3 110 457 A D H > S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.881 113.4 50.8 -62.5 -35.4 48.8 -17.5 45.4 111 458 A S H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.900 112.1 46.9 -69.3 -43.2 51.7 -16.0 47.3 112 459 A I H X S+ 0 0 24 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.922 111.6 50.1 -62.0 -44.9 50.6 -12.5 46.6 113 460 A L H X S+ 0 0 92 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.919 112.2 49.2 -61.4 -39.5 47.0 -13.3 47.5 114 461 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.902 110.1 50.2 -65.9 -41.7 48.3 -14.8 50.8 115 462 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.922 110.4 50.1 -59.6 -44.4 50.5 -11.7 51.5 116 463 A Q H X S+ 0 0 69 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.923 109.4 51.6 -67.1 -40.5 47.5 -9.4 50.9 117 464 A Y H X S+ 0 0 15 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.894 112.8 45.2 -54.8 -47.4 45.4 -11.5 53.3 118 465 A C H <>S+ 0 0 0 -4,-2.2 5,-2.0 2,-0.2 3,-0.4 0.888 111.6 51.8 -68.9 -41.4 48.0 -11.3 56.0 119 466 A L H ><5S+ 0 0 53 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.929 107.5 52.7 -59.9 -43.6 48.6 -7.5 55.5 120 467 A E H 3<5S+ 0 0 152 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.722 107.0 53.5 -68.4 -22.5 44.9 -6.8 55.8 121 468 A R T 3<5S- 0 0 80 -4,-0.8 -1,-0.3 -3,-0.4 -26,-0.2 0.460 118.6-112.2 -90.8 -2.2 44.8 -8.7 59.1 122 469 A G T < 5 + 0 0 28 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.602 63.2 149.0 85.5 11.7 47.6 -6.6 60.5 123 470 A A < - 0 0 1 -5,-2.0 2,-0.4 -27,-0.1 -1,-0.2 -0.371 54.2-107.2 -72.0 160.4 50.4 -9.3 60.7 124 471 A L E -d 98 0B 1 -27,-2.3 -25,-3.1 -29,-0.4 2,-0.4 -0.727 39.1-153.5 -85.9 137.4 54.0 -8.3 60.3 125 472 A T E -d 99 0B 0 -2,-0.4 17,-1.1 -27,-0.2 16,-0.8 -0.919 14.5-173.9-122.8 141.8 55.2 -9.5 56.9 126 473 A V E -de 100 142B 0 -27,-2.5 -25,-3.6 -2,-0.4 2,-0.4 -0.997 11.5-151.8-136.3 130.8 58.8 -10.5 55.8 127 474 A G E -de 101 143B 1 15,-2.4 17,-2.3 -2,-0.4 2,-0.5 -0.849 14.2-169.5-109.6 143.3 59.8 -11.3 52.3 128 475 A I E +de 102 144B 0 -27,-2.6 -25,-2.3 -2,-0.4 2,-0.3 -0.925 38.5 158.4-124.8 99.7 62.7 -13.6 51.1 129 476 A V E -de 103 145B 2 15,-1.9 17,-2.2 -2,-0.5 18,-0.3 -0.909 44.2-158.5-135.0 147.1 62.7 -12.8 47.4 130 477 A N S S+ 0 0 12 -27,-1.2 2,-0.8 -26,-1.0 17,-0.3 0.869 79.1 73.5 -90.9 -44.8 65.0 -12.9 44.4 131 478 A S S > S- 0 0 50 -27,-2.0 3,-1.7 -28,-0.2 6,-0.3 -0.577 82.5-135.7 -78.1 104.7 63.4 -10.4 42.1 132 479 A V T 3 S+ 0 0 99 -2,-0.8 -1,-0.1 1,-0.3 -2,-0.1 -0.371 85.3 9.8 -63.6 129.5 64.2 -6.9 43.5 133 480 A G T 3 S+ 0 0 41 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.638 91.7 142.7 75.4 10.4 61.1 -4.5 43.5 134 481 A S S <> S- 0 0 4 -3,-1.7 4,-2.8 1,-0.1 3,-0.4 -0.322 71.4 -90.9 -71.2 169.5 58.7 -7.3 42.6 135 482 A S H > S+ 0 0 15 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.883 128.7 45.2 -51.0 -47.4 55.2 -7.2 44.1 136 483 A M H > S+ 0 0 0 -30,-2.3 4,-1.4 2,-0.2 -1,-0.3 0.837 112.3 51.4 -70.6 -32.8 56.2 -9.4 47.1 137 484 A S H 4 S+ 0 0 25 -3,-0.4 -2,-0.2 -6,-0.3 -1,-0.2 0.952 116.3 40.6 -66.8 -49.3 59.4 -7.4 47.6 138 485 A R H < S+ 0 0 149 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.924 116.9 47.5 -61.6 -45.5 57.5 -4.1 47.6 139 486 A Q H < S+ 0 0 56 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.661 90.4 86.3 -85.0 -17.4 54.6 -5.2 49.6 140 487 A T S < S- 0 0 10 -4,-1.4 -14,-0.2 -5,-0.2 3,-0.1 -0.471 83.1-124.3 -72.9 153.3 56.2 -7.1 52.5 141 488 A H S S- 0 0 88 -16,-0.8 2,-0.3 1,-0.2 -15,-0.2 0.846 84.7 -17.9 -65.4 -37.2 57.2 -4.8 55.4 142 489 A C E S+e 126 0B 14 -17,-1.1 -15,-2.4 2,-0.0 2,-0.3 -0.918 74.5 148.1-157.9 178.3 60.9 -5.8 55.3 143 490 A G E -e 127 0B 17 -106,-0.5 2,-0.4 -17,-0.3 -15,-0.2 -0.993 40.7 -89.6 168.2-174.2 62.9 -8.7 53.9 144 491 A V E -e 128 0B 6 -17,-2.3 -15,-1.9 -2,-0.3 2,-0.6 -1.000 25.1-140.6-132.2 127.7 66.1 -10.0 52.3 145 492 A H E -e 129 0B 56 -2,-0.4 -15,-0.2 -17,-0.2 -108,-0.1 -0.817 16.2-144.6 -87.1 128.7 66.8 -10.1 48.6 146 493 A I - 0 0 0 -17,-2.2 -16,-0.2 -2,-0.6 -1,-0.1 0.679 14.1-146.0 -76.4 -18.2 68.5 -13.3 48.1 147 494 A N + 0 0 72 -18,-0.3 -124,-0.1 -17,-0.3 -17,-0.1 0.846 50.3 139.2 64.5 34.5 70.9 -12.0 45.4 148 495 A A - 0 0 1 1,-0.2 -1,-0.1 -128,-0.1 -128,-0.1 0.586 60.0-126.0 -82.0 -12.8 71.0 -15.3 43.3 149 496 A G - 0 0 29 -19,-0.2 -1,-0.2 -132,-0.1 -3,-0.0 -0.069 51.8 -28.5 80.7 172.1 70.8 -13.3 40.0 150 497 A P - 0 0 109 0, 0.0 2,-0.6 0, 0.0 -19,-0.0 -0.244 56.0-146.2 -61.0 139.9 68.2 -13.9 37.2 151 498 A E + 0 0 34 1,-0.1 -144,-0.1 6,-0.0 -2,-0.1 -0.953 25.7 166.5-112.2 114.1 66.8 -17.4 36.9 152 499 A I + 0 0 97 -2,-0.6 -1,-0.1 -146,-0.1 -145,-0.1 0.781 46.1 96.1 -99.3 -34.7 66.0 -18.3 33.3 153 500 A G S S- 0 0 9 -147,-0.3 188,-0.1 1,-0.1 4,-0.1 -0.154 81.9-119.6 -57.8 154.7 65.5 -22.1 33.6 154 501 A V S S+ 0 0 105 186,-0.6 2,-0.3 2,-0.1 -1,-0.1 0.809 96.1 48.4 -72.7 -31.9 61.9 -23.3 33.9 155 502 A A S S- 0 0 2 185,-0.2 2,-0.5 -97,-0.0 -2,-0.1 -0.783 94.5-104.1-109.9 155.5 62.5 -24.9 37.3 156 503 A S + 0 0 15 -2,-0.3 -2,-0.1 1,-0.2 -149,-0.0 -0.629 53.0 143.5 -82.9 125.5 64.2 -23.4 40.3 157 504 A T S >> S+ 0 0 0 -2,-0.5 4,-1.6 -4,-0.1 3,-0.6 0.566 76.7 28.0-118.9 -71.6 67.7 -24.6 41.0 158 505 A K H 3> S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.794 117.5 61.3 -63.6 -29.8 69.9 -21.8 42.3 159 506 A A H 3> S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.878 101.9 52.7 -68.2 -33.0 66.9 -20.0 43.8 160 507 A Y H <> S+ 0 0 0 -3,-0.6 4,-2.4 2,-0.2 5,-0.2 0.957 114.0 40.7 -63.2 -51.8 66.2 -23.1 46.1 161 508 A T H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.892 117.7 47.9 -67.4 -34.7 69.8 -23.2 47.4 162 509 A S H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.902 112.3 49.3 -73.3 -38.9 70.0 -19.4 47.7 163 510 A Q H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.925 111.0 50.4 -59.5 -46.9 66.5 -19.2 49.5 164 511 A Y H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.954 112.6 46.8 -57.3 -48.1 67.6 -21.9 51.9 165 512 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.928 112.0 49.5 -61.2 -43.8 70.8 -20.0 52.6 166 513 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.899 111.2 50.5 -61.5 -39.9 68.9 -16.7 53.1 167 514 A L H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.902 109.2 50.3 -67.2 -39.5 66.5 -18.4 55.5 168 515 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.937 110.1 50.7 -62.3 -43.6 69.4 -19.9 57.5 169 516 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.896 109.8 51.6 -61.9 -34.4 70.9 -16.4 57.7 170 517 A F H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.929 109.7 47.9 -67.6 -45.3 67.5 -15.1 58.9 171 518 A A H X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.900 112.4 49.2 -60.6 -42.4 67.3 -17.8 61.6 172 519 A L H < S+ 0 0 1 -4,-2.7 3,-0.5 1,-0.2 -2,-0.2 0.915 110.0 52.4 -62.0 -44.4 70.9 -17.0 62.7 173 520 A S H >< S+ 0 0 2 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.911 108.0 51.4 -59.0 -42.4 70.0 -13.2 62.8 174 521 A L H 3< S+ 0 0 8 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.801 116.2 40.0 -65.4 -28.1 67.0 -13.9 65.0 175 522 A S T >< S+ 0 0 7 -4,-1.2 3,-1.3 -3,-0.5 -1,-0.3 0.101 78.8 113.2-109.3 20.0 69.0 -15.9 67.5 176 523 A N T < S+ 0 0 72 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.496 72.1 58.9 -76.7 -0.6 72.2 -13.7 67.6 177 524 A D T 3 S+ 0 0 44 -3,-0.3 1049,-2.9 -4,-0.1 2,-0.7 0.332 80.1 106.1-106.6 8.0 71.6 -12.6 71.2 178 525 A S B < -F 1225 0C 15 -3,-1.3 4,-0.4 1047,-0.2 1047,-0.2 -0.772 48.8-167.6 -96.3 116.8 71.7 -16.0 72.7 179 526 A I S > S+ 0 0 61 1045,-2.9 3,-1.6 -2,-0.7 4,-0.4 0.934 93.5 53.6 -61.6 -46.4 74.8 -17.1 74.7 180 527 A S T 3 S+ 0 0 79 1,-0.3 3,-0.3 1044,-0.2 4,-0.3 0.813 109.3 50.3 -63.1 -25.2 73.6 -20.7 74.7 181 528 A R T 3> S+ 0 0 40 1043,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.488 82.7 95.5 -83.2 -10.4 73.3 -20.6 70.9 182 529 A K H <> S+ 0 0 69 -3,-1.6 4,-2.1 -4,-0.4 -1,-0.2 0.868 83.6 46.7 -60.0 -42.8 76.7 -19.2 70.3 183 530 A G H > S+ 0 0 51 -4,-0.4 4,-2.4 -3,-0.3 -1,-0.2 0.904 114.6 47.8 -62.3 -41.0 78.5 -22.5 69.6 184 531 A R H > S+ 0 0 35 -4,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.911 111.4 52.5 -67.5 -43.3 75.7 -23.7 67.3 185 532 A H H X S+ 0 0 12 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.911 110.5 46.0 -51.4 -50.2 75.9 -20.3 65.5 186 533 A E H X S+ 0 0 82 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.914 110.9 53.3 -67.6 -41.3 79.6 -20.5 64.9 187 534 A E H X S+ 0 0 92 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.917 112.4 44.5 -56.8 -48.6 79.3 -24.1 63.7 188 535 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.911 114.1 48.8 -66.4 -41.0 76.6 -23.1 61.1 189 536 A I H X S+ 0 0 1 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.925 111.6 47.8 -67.6 -41.5 78.5 -20.0 59.9 190 537 A K H X S+ 0 0 80 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.889 113.9 50.7 -63.4 -38.9 81.8 -21.9 59.5 191 538 A G H >X S+ 0 0 8 -4,-2.1 3,-1.1 -5,-0.3 4,-0.7 0.935 107.1 52.6 -59.6 -50.0 79.8 -24.6 57.6 192 539 A L H >< S+ 0 0 0 -4,-2.9 3,-0.9 1,-0.3 -2,-0.2 0.850 101.5 61.4 -58.4 -35.0 78.2 -21.9 55.4 193 540 A Q H 3< S+ 0 0 74 -4,-1.8 4,-0.3 1,-0.2 -1,-0.3 0.822 107.2 44.1 -59.5 -36.0 81.6 -20.6 54.5 194 541 A K H S+ 0 0 9 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.927 114.1 42.3 -58.8 -45.5 80.3 -22.9 47.7 197 544 A E H > S+ 0 0 104 -4,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.841 113.7 52.5 -66.2 -36.1 83.4 -25.2 47.5 198 545 A Q H X S+ 0 0 32 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.856 106.9 52.7 -66.3 -33.8 81.5 -28.2 48.6 199 546 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.934 106.4 53.8 -66.0 -44.6 78.9 -27.5 45.9 200 547 A K H < S+ 0 0 88 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.906 110.8 47.8 -51.0 -45.3 81.8 -27.4 43.4 201 548 A Q H >< S+ 0 0 97 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.906 109.1 50.8 -63.5 -44.3 82.8 -30.9 44.7 202 549 A V H >< S+ 0 0 2 -4,-2.6 3,-2.3 1,-0.2 -1,-0.2 0.836 99.2 65.9 -64.6 -32.8 79.3 -32.3 44.5 203 550 A L G >< S+ 0 0 13 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.719 86.4 73.2 -61.2 -20.3 78.9 -31.1 40.8 204 551 A K G < S+ 0 0 152 -3,-1.1 3,-0.5 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4,-0.2 1,-0.3 -1,-0.2 0.666 108.1 49.5 -64.0 -15.0 29.7 -14.5 67.2 522 528 B R G <> S+ 0 0 43 -3,-0.6 4,-3.1 349,-0.2 -1,-0.3 0.380 81.1 96.6 -99.3 -1.9 30.1 -18.3 66.8 523 529 B K H <> S+ 0 0 57 -3,-1.8 4,-2.4 -4,-0.2 5,-0.2 0.897 82.8 47.9 -67.1 -41.5 26.7 -19.3 68.0 524 530 B G H > S+ 0 0 50 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.913 114.2 48.2 -59.3 -44.1 25.1 -19.6 64.5 525 531 B R H > S+ 0 0 37 -4,-0.2 4,-2.5 1,-0.2 5,-0.2 0.924 111.5 50.5 -62.6 -47.2 28.1 -21.7 63.3 526 532 B H H X S+ 0 0 10 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.918 111.0 47.8 -53.4 -48.3 27.9 -23.9 66.3 527 533 B E H X S+ 0 0 86 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.924 111.1 51.8 -64.6 -40.2 24.2 -24.5 65.9 528 534 B E H X S+ 0 0 92 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.925 113.5 44.0 -57.3 -48.3 24.7 -25.3 62.2 529 535 B I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.928 113.1 50.0 -70.2 -41.7 27.4 -27.9 63.0 530 536 B I H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.923 110.9 48.7 -66.0 -42.6 25.5 -29.5 65.9 531 537 B K H X S+ 0 0 93 -4,-2.6 4,-0.9 -5,-0.2 -1,-0.2 0.928 112.0 51.4 -59.8 -41.6 22.3 -29.9 63.8 532 538 B G H >X S+ 0 0 9 -4,-2.2 3,-0.9 -5,-0.3 4,-0.9 0.927 106.6 53.3 -57.7 -49.3 24.6 -31.4 61.0 533 539 B L H >< S+ 0 0 0 -4,-2.8 3,-0.8 1,-0.2 -1,-0.2 0.868 101.0 60.4 -54.1 -40.0 26.1 -33.8 63.5 534 540 B Q H 3< S+ 0 0 77 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.855 108.0 45.2 -58.9 -31.6 22.7 -35.1 64.6 535 541 B K H S+ 0 0 15 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.925 113.8 42.6 -57.2 -44.3 24.6 -41.4 61.6 538 544 B E H > S+ 0 0 99 -4,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.862 113.5 52.4 -72.2 -30.3 21.6 -41.6 59.2 539 545 B Q H X S+ 0 0 26 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.891 105.5 54.6 -72.4 -32.8 23.6 -40.1 56.4 540 546 B I H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.944 105.8 53.0 -61.1 -44.3 26.3 -42.7 57.0 541 547 B K H X S+ 0 0 132 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.887 108.9 50.3 -55.3 -41.6 23.6 -45.4 56.5 542 548 B Q H >< S+ 0 0 80 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.929 109.2 50.6 -62.9 -46.1 22.7 -43.7 53.2 543 549 B V H >< 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