==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-FEB-08 2ZJ3 . COMPND 2 MOLECULE: GLUCOSAMINE--FRUCTOSE-6-PHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.NAKAISHI,M.BANDO,K.KONDO,H.TSUGE . 365 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15959.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 23 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 0 2 3 1 0 1 0 1 1 2 0 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 1 3 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 316 A M 0 0 180 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-176.3 86.9 32.3 21.2 2 317 A K > + 0 0 62 3,-0.1 3,-1.2 4,-0.0 5,-0.2 0.507 360.0 170.7 -88.8 -15.7 85.1 28.9 21.2 3 318 A G T 3 + 0 0 52 1,-0.3 3,-0.1 3,-0.1 4,-0.0 0.466 62.7 23.8 8.1 110.9 87.1 28.4 24.5 4 319 A N T 3 S+ 0 0 172 1,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.103 118.4 74.3 88.1 -11.9 85.8 25.3 26.4 5 320 A F S < S- 0 0 61 -3,-1.2 -1,-0.2 1,-0.1 -3,-0.1 -0.969 72.2-143.7-125.6 146.9 84.6 23.9 23.1 6 321 A S S S+ 0 0 93 -2,-0.4 2,-0.3 -3,-0.1 -3,-0.1 0.614 87.3 32.2 -80.9 -14.0 86.5 22.4 20.2 7 322 A S S > S- 0 0 4 -5,-0.2 4,-1.7 1,-0.1 5,-0.1 -0.985 70.1-130.6-140.8 155.4 84.1 23.9 17.6 8 323 A F H > S+ 0 0 38 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.900 109.2 57.2 -65.5 -41.3 81.9 26.9 17.2 9 324 A M H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.908 106.8 46.4 -60.2 -43.9 79.0 24.6 16.2 10 325 A Q H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.927 113.4 50.7 -65.5 -39.0 79.1 22.6 19.5 11 326 A K H X S+ 0 0 52 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.936 111.2 48.5 -57.6 -46.2 79.4 25.9 21.4 12 327 A E H < S+ 0 0 2 -4,-2.6 4,-0.3 2,-0.2 3,-0.2 0.860 110.0 50.5 -68.3 -39.4 76.4 27.3 19.5 13 328 A I H >< S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.939 113.0 46.6 -57.8 -48.9 74.3 24.2 20.1 14 329 A F H 3< S+ 0 0 57 -4,-2.4 -2,-0.2 1,-0.3 4,-0.2 0.635 102.5 66.5 -72.9 -11.7 75.1 24.3 23.9 15 330 A E T >X S+ 0 0 45 -4,-1.0 4,-2.6 -3,-0.2 3,-1.1 0.559 72.0 99.9 -81.9 -8.3 74.3 28.1 23.9 16 331 A Q H <> S+ 0 0 0 -3,-1.4 4,-2.0 -4,-0.3 5,-0.2 0.760 74.1 56.5 -58.4 -33.2 70.6 27.4 23.2 17 332 A P H 3> S+ 0 0 11 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.928 117.6 37.5 -58.9 -39.3 69.4 27.8 26.8 18 333 A E H <> S+ 0 0 130 -3,-1.1 4,-2.6 -4,-0.2 -2,-0.2 0.851 114.1 54.0 -78.6 -38.3 71.0 31.3 26.7 19 334 A S H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -3,-0.2 0.880 107.5 51.4 -69.2 -34.6 70.1 32.2 23.1 20 335 A V H X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.935 111.3 47.4 -67.0 -44.8 66.4 31.5 23.7 21 336 A V H X S+ 0 0 56 -4,-1.2 4,-1.1 -5,-0.2 3,-0.4 0.941 112.0 51.1 -57.2 -46.8 66.5 33.7 26.8 22 337 A N H >< S+ 0 0 40 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.905 106.6 54.2 -59.5 -40.0 68.3 36.4 24.7 23 338 A T H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.841 115.4 38.8 -61.2 -35.5 65.7 36.1 22.0 24 339 A M H >X S+ 0 0 10 -4,-1.4 3,-2.0 -3,-0.4 4,-2.0 0.490 87.0 126.3 -93.8 -6.8 62.8 36.8 24.5 25 340 A R T << S+ 0 0 149 -4,-1.1 4,-0.1 -3,-0.6 -3,-0.0 -0.316 84.8 0.1 -62.9 127.2 64.8 39.4 26.5 26 341 A G T 34 S+ 0 0 79 2,-0.3 -1,-0.3 -2,-0.1 3,-0.1 0.487 126.8 72.3 73.5 6.0 62.8 42.6 26.9 27 342 A R T <4 S+ 0 0 49 -3,-2.0 9,-2.7 1,-0.3 2,-0.4 0.737 85.8 52.5-123.3 -40.2 59.9 41.2 24.9 28 343 A V E < -A 35 0A 18 -4,-2.0 2,-0.5 7,-0.2 -2,-0.3 -0.895 57.8-166.6-105.7 134.3 58.1 38.6 26.9 29 344 A N E >> -A 34 0A 58 5,-2.7 5,-1.2 -2,-0.4 4,-0.7 -0.978 2.0-170.8-118.7 114.2 56.8 39.4 30.4 30 345 A F T 45S+ 0 0 58 -2,-0.5 -1,-0.1 1,-0.2 5,-0.0 0.677 80.8 64.1 -81.1 -18.5 55.9 36.2 32.2 31 346 A D T 45S+ 0 0 153 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.911 122.7 15.5 -71.1 -41.4 54.3 38.1 35.1 32 347 A D T 45S- 0 0 85 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.237 101.2-120.5-119.5 13.2 51.5 39.7 33.0 33 348 A Y T <5 + 0 0 57 -4,-0.7 2,-0.4 1,-0.2 -3,-0.2 0.857 60.5 146.4 52.1 43.2 51.7 37.5 29.9 34 349 A T E < -A 29 0A 64 -5,-1.2 -5,-2.7 2,-0.0 2,-0.4 -0.834 30.6-166.3-105.2 145.0 52.5 40.4 27.6 35 350 A V E +A 28 0A 7 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.998 8.2 178.4-128.0 135.4 54.7 40.1 24.5 36 351 A N - 0 0 81 -9,-2.7 2,-0.8 -2,-0.4 3,-0.1 -0.960 17.2-171.6-137.2 118.4 56.0 43.1 22.7 37 352 A L > - 0 0 2 -2,-0.4 3,-2.2 1,-0.2 4,-0.2 -0.919 14.3-162.2-104.6 99.2 58.3 43.1 19.8 38 353 A G G >> S+ 0 0 33 -2,-0.8 3,-2.0 1,-0.3 4,-0.5 0.844 85.8 64.5 -54.3 -39.2 59.0 46.8 19.6 39 354 A G G 34 S+ 0 0 49 1,-0.3 106,-0.6 2,-0.1 -1,-0.3 0.718 112.8 36.6 -55.0 -22.0 60.2 46.5 16.0 40 355 A L G <> S+ 0 0 0 -3,-2.2 4,-1.1 104,-0.1 -1,-0.3 0.220 88.1 103.1-112.3 9.9 56.6 45.5 15.1 41 356 A K T X4 S+ 0 0 126 -3,-2.0 3,-0.7 2,-0.2 4,-0.4 0.972 87.3 37.9 -64.4 -53.8 54.8 47.8 17.6 42 357 A D T >< S+ 0 0 107 -4,-0.5 3,-0.9 1,-0.2 4,-0.4 0.988 119.9 44.9 -56.5 -68.1 53.8 50.4 15.1 43 358 A H T 3> S+ 0 0 65 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.448 86.3 93.3 -62.8 -5.5 53.0 48.0 12.1 44 359 A I H S+ 0 0 163 -3,-0.9 4,-1.4 -4,-0.4 -1,-0.2 0.919 110.9 52.9 -59.7 -40.9 47.5 46.7 13.6 46 361 A E H > S+ 0 0 121 -4,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.894 106.6 52.1 -58.1 -44.3 48.2 46.9 9.8 47 362 A I H >< S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.881 105.1 55.0 -61.3 -39.7 49.4 43.3 9.8 48 363 A Q H 3< S+ 0 0 81 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.860 105.7 53.7 -66.5 -29.0 46.1 42.2 11.4 49 364 A R H 3< S+ 0 0 213 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.655 91.8 97.2 -75.8 -17.5 44.3 44.0 8.6 50 365 A C << - 0 0 12 -3,-0.9 49,-0.2 -4,-0.7 3,-0.1 -0.291 69.8-140.1 -71.7 164.3 46.3 42.0 6.0 51 366 A R S S+ 0 0 117 47,-3.1 2,-0.3 1,-0.2 48,-0.2 0.485 73.0 17.8-103.5 -15.6 44.8 38.9 4.4 52 367 A R E -b 99 0B 32 46,-0.7 48,-2.3 26,-0.1 2,-0.4 -0.970 60.2-138.2-160.4 144.9 47.6 36.4 4.1 53 368 A L E -bc 100 80B 0 26,-2.6 28,-2.4 -2,-0.3 2,-0.5 -0.954 17.9-169.1-110.5 130.8 51.0 35.7 5.6 54 369 A I E -bc 101 81B 0 46,-2.3 48,-3.1 -2,-0.4 2,-0.5 -0.987 5.8-159.5-120.1 122.6 53.8 34.6 3.3 55 370 A L E -bc 102 82B 1 26,-3.1 28,-2.8 -2,-0.5 2,-0.4 -0.893 12.0-171.1-103.0 123.9 57.0 33.4 4.8 56 371 A I E +bc 103 83B 0 46,-3.2 48,-1.7 -2,-0.5 2,-0.3 -0.964 23.4 121.4-124.0 126.0 60.0 33.5 2.3 57 372 A A E -bc 104 84B 1 26,-1.8 28,-2.0 -2,-0.4 2,-0.3 -0.978 43.5-119.7-168.5 172.1 63.4 32.0 3.1 58 373 A C >> - 0 0 31 46,-0.5 3,-1.1 -2,-0.3 4,-1.1 -0.871 66.2 -19.1-122.6 158.9 66.2 29.5 2.2 59 374 A G H 3> S- 0 0 39 -2,-0.3 4,-1.4 1,-0.3 3,-0.3 -0.085 127.3 -3.9 55.4-134.0 67.8 26.6 3.9 60 375 A T H 3> S+ 0 0 10 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.809 131.5 61.9 -66.3 -31.6 67.4 26.3 7.7 61 376 A S H <> S+ 0 0 13 -3,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.898 101.6 52.5 -62.0 -39.3 65.5 29.6 7.8 62 377 A Y H X S+ 0 0 49 -4,-1.1 4,-2.1 -3,-0.3 3,-0.5 0.904 105.3 55.3 -60.6 -41.6 62.8 28.1 5.6 63 378 A H H X S+ 0 0 21 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.844 100.6 57.9 -60.2 -34.4 62.6 25.2 8.0 64 379 A A H X S+ 0 0 0 -4,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.845 107.1 49.9 -65.0 -32.0 61.8 27.7 10.9 65 380 A G H >X S+ 0 0 0 -4,-1.2 4,-1.1 -3,-0.5 3,-0.7 0.917 110.3 47.8 -69.3 -46.1 58.8 28.8 8.8 66 381 A V H 3< S+ 0 0 26 -4,-2.1 4,-0.4 1,-0.2 168,-0.3 0.868 109.7 55.8 -61.3 -33.5 57.6 25.3 8.3 67 382 A A H 3< S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.728 117.0 33.7 -71.5 -22.2 58.1 24.7 12.1 68 383 A T H S+ 0 0 85 -4,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.909 113.3 44.9 -63.8 -45.6 50.6 25.6 12.1 71 386 A V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.857 113.4 51.9 -69.2 -33.6 50.8 27.9 15.2 72 387 A L H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 5,-0.5 0.928 111.9 46.0 -64.4 -46.1 50.7 30.9 13.0 73 388 A E H X S+ 0 0 74 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.949 115.6 48.5 -55.6 -47.6 47.6 29.5 11.2 74 389 A E H < S+ 0 0 73 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.896 120.5 32.2 -60.5 -48.7 46.1 28.7 14.6 75 390 A L H < S+ 0 0 5 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.728 127.4 37.5 -90.3 -29.3 46.7 32.0 16.3 76 391 A T H < S- 0 0 17 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.720 87.6-147.7 -87.0 -25.8 46.4 34.4 13.4 77 392 A E < + 0 0 129 -4,-1.9 -4,-0.1 -5,-0.5 -3,-0.1 0.575 59.4 124.0 60.0 15.6 43.5 32.5 11.7 78 393 A L S S- 0 0 31 -6,-0.5 -1,-0.3 1,-0.1 -2,-0.2 -0.662 74.8 -97.7 -97.4 151.8 45.1 33.7 8.5 79 394 A P - 0 0 77 0, 0.0 -26,-2.6 0, 0.0 2,-0.4 -0.501 40.4-158.4 -64.8 141.0 46.3 31.6 5.6 80 395 A V E -c 53 0B 3 -28,-0.2 2,-0.4 -2,-0.2 -26,-0.2 -0.997 8.2-169.9-126.4 126.8 50.1 31.1 5.9 81 396 A M E -c 54 0B 46 -28,-2.4 -26,-3.1 -2,-0.4 2,-0.4 -0.925 6.2-158.7-115.8 135.5 52.2 30.2 2.8 82 397 A V E -c 55 0B 24 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.984 16.9-175.5-119.2 129.4 55.8 29.1 3.3 83 398 A E E -c 56 0B 19 -28,-2.8 -26,-1.8 -2,-0.4 2,-0.4 -0.983 31.1-126.5-132.1 133.0 58.0 29.5 0.2 84 399 A L E > -c 57 0B 73 -2,-0.4 4,-2.8 -28,-0.2 3,-0.5 -0.708 33.5-131.7 -68.8 128.2 61.6 28.6 -0.8 85 400 A A H > S+ 0 0 0 -28,-2.0 4,-2.0 -2,-0.4 5,-0.2 0.810 101.2 53.0 -59.2 -39.8 62.8 31.9 -2.0 86 401 A S H > S+ 0 0 54 -29,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.908 114.9 42.2 -65.2 -39.5 64.4 30.6 -5.3 87 402 A D H > S+ 0 0 76 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.890 109.0 58.5 -73.8 -42.4 61.1 28.9 -6.3 88 403 A F H <>S+ 0 0 0 -4,-2.8 5,-1.6 1,-0.2 4,-0.3 0.924 112.3 41.8 -48.5 -47.7 59.0 31.8 -5.2 89 404 A L H ><5S+ 0 0 38 -4,-2.0 3,-1.6 -5,-0.2 -2,-0.2 0.934 110.1 55.4 -68.2 -49.1 61.0 34.0 -7.7 90 405 A D H 3<5S+ 0 0 127 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.851 109.8 47.8 -54.5 -36.6 61.0 31.4 -10.5 91 406 A R T 3<5S- 0 0 107 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.476 101.9-128.3 -83.7 -4.4 57.2 31.2 -10.5 92 407 A N T < 5 - 0 0 113 -3,-1.6 -3,-0.2 -4,-0.3 3,-0.1 0.938 36.2-146.9 49.1 50.2 56.5 34.9 -10.4 93 408 A T < - 0 0 3 -5,-1.6 2,-0.3 -6,-0.2 -1,-0.1 -0.124 14.7-105.8 -50.4 132.8 54.3 34.1 -7.4 94 409 A P + 0 0 80 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.501 43.4 179.9 -62.8 121.1 51.2 36.4 -7.2 95 410 A V - 0 0 12 -2,-0.3 2,-0.2 -3,-0.1 30,-0.0 -0.976 7.5-159.1-124.3 143.5 51.7 38.9 -4.3 96 411 A F > - 0 0 88 -2,-0.4 3,-1.8 28,-0.0 27,-0.1 -0.757 32.4-104.4-123.2 168.5 49.1 41.5 -3.4 97 412 A R T 3 S+ 0 0 212 1,-0.3 29,-0.1 -2,-0.2 -1,-0.0 0.671 119.2 48.3 -64.1 -24.5 48.8 44.9 -1.6 98 413 A D T 3 S+ 0 0 69 27,-0.1 -47,-3.1 2,-0.1 -46,-0.7 0.009 87.5 107.1-111.7 22.6 47.3 43.3 1.5 99 414 A D E < -b 52 0B 0 -3,-1.8 27,-1.8 -49,-0.2 2,-0.5 -0.791 59.5-146.9 -86.1 145.0 49.8 40.4 1.8 100 415 A V E -bd 53 126B 0 -48,-2.3 -46,-2.3 -2,-0.4 2,-0.5 -0.980 15.7-160.0-112.4 123.4 52.3 40.6 4.6 101 416 A C E -bd 54 127B 0 25,-2.6 27,-2.8 -2,-0.5 2,-0.4 -0.895 3.1-159.3-109.4 127.8 55.6 39.0 3.6 102 417 A F E -bd 55 128B 1 -48,-3.1 -46,-3.2 -2,-0.5 2,-0.6 -0.868 2.8-156.9-106.2 135.7 58.1 37.8 6.1 103 418 A F E -bd 56 129B 0 25,-2.8 27,-3.0 -2,-0.4 2,-0.6 -0.961 7.8-162.3-114.9 111.4 61.8 37.3 5.2 104 419 A L E +bd 57 130B 1 -48,-1.7 -46,-0.5 -2,-0.6 2,-0.3 -0.848 25.5 149.8 -98.1 120.7 63.5 34.8 7.5 105 420 A S E - d 0 131B 2 25,-2.6 27,-0.9 -2,-0.6 28,-0.3 -0.840 38.9-161.5-157.2 117.7 67.3 35.1 7.3 106 421 A Q S S+ 0 0 24 -2,-0.3 26,-1.2 25,-0.3 -1,-0.1 0.957 104.0 31.3 -56.4 -53.2 70.2 34.5 9.7 107 422 A S S S- 0 0 14 253,-0.2 -1,-0.2 24,-0.1 30,-0.1 0.718 91.5-142.6 -78.0 -27.8 72.6 36.6 7.6 108 423 A G S S+ 0 0 0 22,-0.1 30,-2.6 28,-0.1 31,-0.2 0.567 85.3 80.7 67.4 12.0 70.1 39.1 6.2 109 424 A E + 0 0 62 28,-0.2 2,-0.1 27,-0.1 252,-0.1 0.340 48.4 136.4-126.2 1.1 72.2 38.9 2.9 110 425 A T > - 0 0 27 1,-0.1 4,-2.8 2,-0.1 5,-0.3 -0.389 52.3-137.7 -60.8 126.0 71.0 35.7 1.1 111 426 A A H > S+ 0 0 13 251,-2.4 4,-2.6 1,-0.2 5,-0.2 0.865 97.9 45.0 -57.0 -46.9 70.6 36.7 -2.6 112 427 A D H > S+ 0 0 68 250,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.887 115.3 47.1 -67.5 -41.7 67.3 34.8 -3.2 113 428 A T H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.914 114.0 48.2 -62.9 -43.9 65.7 36.0 0.0 114 429 A L H X S+ 0 0 13 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11.7 134 449 A V T 3 S+ 0 0 110 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 -0.393 88.2 20.6 -67.4 140.1 71.7 44.1 12.5 135 450 A G T 3 S+ 0 0 43 1,-0.2 -1,-0.3 -2,-0.1 -27,-0.0 0.400 90.4 141.6 84.4 -4.0 72.4 46.4 9.6 136 451 A S <> - 0 0 2 -3,-1.7 4,-2.7 1,-0.1 5,-0.3 -0.267 66.7-106.6 -68.9 157.5 72.0 43.6 7.0 137 452 A S H > S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.901 121.6 46.3 -49.3 -47.5 70.3 44.3 3.6 138 453 A I H > S+ 0 0 0 -30,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.901 113.4 49.1 -68.2 -38.5 67.1 42.4 4.7 139 454 A S H 4 S+ 0 0 47 -6,-0.3 -2,-0.2 -31,-0.2 -1,-0.2 0.886 117.4 41.9 -63.1 -40.2 67.0 44.1 8.1 140 455 A R H < S+ 0 0 202 -4,-2.7 -2,-0.2 -32,-0.2 -1,-0.2 0.807 116.0 46.9 -76.6 -34.3 67.5 47.6 6.4 141 456 A E H < S+ 0 0 49 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.599 90.3 91.5 -94.0 -13.8 65.1 47.1 3.5 142 457 A T S < S- 0 0 16 -4,-1.3 -14,-0.2 -5,-0.2 3,-0.1 -0.375 80.8-122.3 -73.3 159.5 62.1 45.6 5.2 143 458 A D S S- 0 0 77 -16,-1.1 2,-0.3 1,-0.2 -15,-0.2 0.833 90.7 -16.8 -72.8 -35.0 59.3 47.9 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120.7 76.7 32.3 14.8 154 469 A I + 0 0 69 -2,-0.5 -1,-0.1 -146,-0.1 -145,-0.1 0.760 46.2 100.4-102.9 -33.6 79.9 31.1 13.1 155 470 A G - 0 0 0 1,-0.2 198,-0.1 -147,-0.1 199,-0.1 -0.314 69.0-140.8 -55.8 129.9 79.0 27.5 12.3 156 471 A V S S+ 0 0 19 197,-2.1 2,-0.7 196,-0.1 -1,-0.2 0.852 94.5 68.9 -65.0 -33.4 78.0 27.2 8.7 157 472 A A S S- 0 0 0 195,-0.4 2,-0.2 196,-0.1 -2,-0.1 -0.819 95.5-131.3 -86.5 111.9 75.3 24.7 9.8 158 473 A S + 0 0 10 -2,-0.7 -2,-0.1 1,-0.2 84,-0.0 -0.442 43.7 149.7 -75.5 134.7 72.9 26.9 11.7 159 474 A T S >> S+ 0 0 0 -2,-0.2 4,-1.7 -4,-0.1 3,-1.1 0.540 70.9 33.5-128.2 -77.5 71.8 25.7 15.2 160 475 A K H 3> S+ 0 0 2 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.805 115.7 58.4 -60.4 -32.7 70.9 28.5 17.7 161 476 A A H 3> S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.836 102.7 54.1 -67.7 -32.0 69.6 30.8 14.9 162 477 A Y H <> S+ 0 0 0 -3,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.951 112.8 41.9 -61.5 -49.7 67.0 28.1 13.9 163 478 A T H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.871 114.6 51.6 -73.0 -29.0 65.7 27.9 17.4 164 479 A S H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.846 110.9 48.3 -71.8 -36.2 65.8 31.7 17.9 165 480 A Q H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.918 110.7 52.3 -63.6 -43.6 63.9 32.2 14.6 166 481 A F H X S+ 0 0 5 -4,-2.4 4,-2.1 1,-0.2 3,-0.4 0.975 112.1 44.7 -56.7 -54.8 61.4 29.6 15.8 167 482 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.866 110.7 55.0 -61.9 -38.4 60.9 31.5 19.1 168 483 A S H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.901 108.6 46.8 -61.7 -41.6 60.6 34.8 17.3 169 484 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 -3,-0.4 -1,-0.2 0.877 111.0 52.6 -72.5 -32.6 57.8 33.6 15.0 170 485 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.911 108.5 50.3 -66.6 -41.1 56.0 32.2 18.0 171 486 A M H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.913 109.7 51.5 -63.4 -41.4 56.2 35.5 19.8 172 487 A F H >X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 3,-0.6 0.957 109.2 50.2 -54.1 -52.7 54.8 37.2 16.7 173 488 A A H 3X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.3 -1,-0.2 0.859 108.6 52.9 -52.8 -43.8 51.9 34.7 16.7 174 489 A L H 3< S+ 0 0 0 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.794 108.8 49.3 -63.2 -35.1 51.3 35.5 20.4 175 490 A M H X< S+ 0 0 14 -4,-1.6 3,-1.5 -3,-0.6 -2,-0.2 0.898 105.9 58.3 -69.2 -40.3 51.1 39.2 19.7 176 491 A M H 3< S+ 0 0 16 -4,-2.5 3,-0.3 1,-0.3 -2,-0.2 0.803 112.1 38.3 -62.3 -30.2 48.7 38.6 16.8 177 492 A C T >< S+ 0 0 0 -4,-1.2 3,-1.4 1,-0.2 -1,-0.3 0.159 80.5 111.4-106.3 18.7 46.1 36.9 19.0 178 493 A D T < S+ 0 0 72 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.541 73.6 54.5 -80.7 -2.9 46.5 39.1 22.1 179 494 A D T 3 S+ 0 0 147 -3,-0.3 2,-0.7 -4,-0.1 -1,-0.3 0.343 84.9 101.5-102.2 0.6 43.0 40.7 21.8 180 495 A R X - 0 0 105 -3,-1.4 3,-1.2 1,-0.2 4,-0.4 -0.801 54.0-163.7 -96.5 114.9 41.1 37.5 21.7 181 496 A I G > S+ 0 0 158 -2,-0.7 3,-1.4 1,-0.3 4,-0.4 0.901 91.8 57.5 -56.0 -41.9 39.4 36.4 24.9 182 497 A S G 3 S+ 0 0 92 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.654 106.9 47.7 -66.7 -20.8 39.0 32.9 23.5 183 498 A M G <> S+ 0 0 21 -3,-1.2 4,-2.5 -6,-0.2 -1,-0.3 0.393 81.6 97.2-101.3 2.4 42.8 32.4 23.0 184 499 A Q H <> S+ 0 0 67 -3,-1.4 4,-2.3 -4,-0.4 5,-0.2 0.908 84.8 47.6 -64.5 -41.1 44.0 33.7 26.4 185 500 A E H > S+ 0 0 143 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.916 112.8 49.9 -66.5 -37.4 44.4 30.2 27.9 186 501 A R H > S+ 0 0 36 -4,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.925 111.3 48.9 -64.1 -43.5 46.2 29.0 24.8 187 502 A R H X S+ 0 0 12 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.891 111.5 49.0 -63.5 -41.6 48.6 32.0 24.9 188 503 A K H X S+ 0 0 82 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.917 109.5 53.0 -66.6 -42.1 49.3 31.4 28.6 189 504 A E H X S+ 0 0 95 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.947 113.4 43.6 -52.0 -50.5 50.0 27.7 27.9 190 505 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.927 113.4 50.0 -67.3 -43.1 52.5 28.7 25.3 191 506 A M H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.889 108.8 51.5 -66.8 -33.9 54.1 31.4 27.3 192 507 A L H X S+ 0 0 39 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.895 110.3 52.5 -68.2 -37.5 54.5 29.1 30.4 193 508 A G H X S+ 0 0 6 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.918 107.6 48.9 -55.9 -49.0 56.2 26.7 27.9 194 509 A L H < S+ 0 0 0 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.856 109.1 53.9 -59.8 -37.8 58.6 29.5 26.7 195 510 A K H < S+ 0 0 100 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.934 115.1 40.0 -62.1 -45.8 59.4 30.2 30.4 196 511 A R H X S+ 0 0 138 -4,-2.0 4,-1.7 1,-0.2 3,-0.3 0.620 94.4 88.5 -74.6 -17.8 60.3 26.5 31.0 197 512 A L H X S+ 0 0 0 -4,-1.2 4,-2.4 1,-0.2 5,-0.2 0.881 79.7 55.7 -60.4 -44.9 62.1 26.0 27.6 198 513 A P H > S+ 0 0 15 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.928 110.0 46.4 -55.7 -44.0 65.6 27.0 28.6 199 514 A D H > S+ 0 0 104 -4,-0.3 4,-1.7 -3,-0.3 -2,-0.2 0.854 112.1 51.8 -63.7 -36.2 65.8 24.5 31.5 200 515 A L H X S+ 0 0 30 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.848 105.7 54.1 -70.8 -34.8 64.3 21.8 29.2 201 516 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.914 106.5 53.1 -60.3 -42.7 67.0 22.6 26.6 202 517 A K H X S+ 0 0 121 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.918 107.3 52.4 -57.5 -41.8 69.7 22.0 29.3 203 518 A E H < S+ 0 0 74 -4,-1.7 4,-0.3 1,-0.2 3,-0.3 0.878 108.9 48.7 -64.8 -39.9 68.0 18.7 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