==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-DEC-10 2Y2P . COMPND 2 MOLECULE: PENICILLIN-BINDING PROTEIN 1B; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR C.CONTRERAS-MARTEL,A.AMOROSO,E.C.WOON,A.ZERVOSEN,S.INGLIS,A. . 466 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19865.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 309 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 24 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.0 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 2 0 1 2 1 0 0 0 3 0 1 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 PARALLEL BRIDGES PER LADDER . 3 1 4 2 0 2 1 1 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 . 3 1 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 1 105 A I 0 0 149 0, 0.0 2,-0.2 0, 0.0 66,-0.1 0.000 360.0 360.0 360.0 123.6 22.1 22.3 54.6 2 106 A S - 0 0 0 64,-0.4 13,-2.1 62,-0.3 2,-0.3 -0.535 360.0-163.9 -75.1 149.6 21.8 25.9 53.2 3 107 A E E -Ab 14 69A 61 65,-2.4 67,-2.9 11,-0.2 2,-0.5 -0.997 19.2-147.2-137.4 141.0 23.7 26.7 50.0 4 108 A I E -Ab 13 70A 0 9,-2.6 8,-3.5 -2,-0.3 9,-1.5 -0.933 30.8-168.2-101.2 130.4 24.8 29.8 48.1 5 109 A T E -Ab 11 71A 1 65,-3.0 67,-1.9 -2,-0.5 69,-0.3 -0.808 23.4-113.5-120.0 158.7 24.8 29.3 44.3 6 110 A Y > - 0 0 30 4,-2.7 3,-1.8 -2,-0.3 69,-0.2 -0.292 52.6 -90.2 -69.8 169.6 26.0 30.9 41.1 7 111 A S T 3 S+ 0 0 63 67,-2.9 68,-0.1 1,-0.3 -1,-0.1 0.783 127.8 51.9 -58.3 -29.5 23.4 32.2 38.7 8 112 A D T 3 S- 0 0 114 66,-0.3 -1,-0.3 2,-0.1 67,-0.1 0.485 123.4-100.4 -91.6 -3.1 23.2 28.9 36.9 9 113 A G S < S+ 0 0 46 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.282 72.7 142.2 109.3 -8.7 22.6 26.9 40.1 10 114 A T - 0 0 56 1,-0.1 -4,-2.7 -5,-0.1 -1,-0.3 -0.462 59.1-108.7 -64.4 134.0 26.1 25.5 40.7 11 115 A V E -A 5 0A 63 -6,-0.2 -6,-0.3 -2,-0.2 3,-0.1 -0.406 30.3-174.5 -69.6 124.5 26.9 25.5 44.4 12 116 A I E - 0 0 36 -8,-3.5 2,-0.3 1,-0.3 -7,-0.2 0.898 68.7 -38.1 -75.7 -49.1 29.4 28.2 45.6 13 117 A A E -A 4 0A 29 -9,-1.5 -9,-2.6 7,-0.1 -1,-0.3 -0.982 53.2-108.1-167.5 155.5 29.4 26.8 49.2 14 118 A S E A 3 0A 60 -2,-0.3 -11,-0.2 -11,-0.2 50,-0.1 -0.492 360.0 360.0 -79.0 158.7 27.3 25.3 52.0 15 119 A I 0 0 39 -13,-2.1 49,-0.2 48,-0.2 -1,-0.1 0.341 360.0 360.0-124.4 360.0 26.5 27.4 55.1 16 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 17 337 A D > 0 0 91 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 174.1 37.1 34.5 50.2 18 338 A Y H > + 0 0 8 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.780 360.0 57.2 -61.1 -34.8 35.2 37.7 49.2 19 339 A L H > S+ 0 0 14 2,-0.2 4,-2.0 3,-0.2 5,-0.4 0.960 107.0 47.6 -67.1 -45.8 32.5 36.0 47.3 20 340 A Y H > S+ 0 0 62 -3,-0.2 4,-3.0 1,-0.2 5,-0.2 0.974 118.1 39.6 -53.0 -56.2 31.3 33.8 50.2 21 341 A F H X S+ 0 0 99 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.828 114.5 51.7 -71.7 -33.6 31.2 36.7 52.8 22 342 A T H X S+ 0 0 18 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.952 116.7 38.7 -68.5 -48.7 29.7 39.3 50.4 23 343 A T H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.3 5,-0.2 0.922 116.2 51.9 -73.6 -39.8 26.8 37.1 49.3 24 344 A L H X S+ 0 0 17 -4,-3.0 4,-2.3 -5,-0.4 -2,-0.2 0.953 109.4 50.9 -58.3 -45.0 26.3 35.7 52.8 25 345 A A H X S+ 0 0 45 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.907 112.2 45.5 -58.5 -45.0 26.2 39.2 54.3 26 346 A E H X S+ 0 0 51 -4,-2.0 4,-2.0 1,-0.2 5,-0.2 0.925 111.5 52.0 -67.7 -38.7 23.6 40.3 51.7 27 347 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.893 106.2 55.6 -63.9 -34.6 21.5 37.2 52.2 28 348 A Q H X S+ 0 0 57 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.935 107.0 50.1 -67.8 -39.4 21.6 37.8 56.0 29 349 A E H X S+ 0 0 102 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.881 111.2 47.2 -60.0 -45.0 20.1 41.2 55.5 30 350 A R H X S+ 0 0 58 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.881 112.1 51.2 -63.9 -38.8 17.3 39.9 53.2 31 351 A M H X S+ 0 0 1 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.923 106.4 55.7 -67.2 -36.0 16.6 37.2 55.8 32 352 A Y H X S+ 0 0 13 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.932 108.6 46.1 -58.1 -49.8 16.5 39.9 58.5 33 353 A D H X S+ 0 0 71 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.887 114.2 49.2 -62.2 -38.6 13.7 41.8 56.7 34 354 A Y H X S+ 0 0 55 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.906 111.4 46.4 -71.8 -39.8 11.8 38.7 56.0 35 355 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 6,-0.2 0.923 111.1 53.6 -70.6 -38.0 11.9 37.3 59.6 36 356 A A H <>S+ 0 0 4 -4,-2.3 5,-2.9 -5,-0.3 -1,-0.2 0.924 113.3 41.8 -56.7 -49.8 10.9 40.7 61.0 37 357 A Q H ><5S+ 0 0 141 -4,-1.8 3,-1.9 1,-0.2 -2,-0.2 0.908 111.7 56.3 -69.5 -40.7 7.8 40.9 58.8 38 358 A R H 3<5S+ 0 0 116 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.907 109.8 45.5 -51.6 -47.2 7.0 37.3 59.4 39 359 A D T 3<5S- 0 0 57 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.225 114.8-118.2 -84.9 9.4 6.9 37.9 63.1 40 360 A N T < 5 + 0 0 141 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.821 54.4 163.1 59.6 34.4 4.8 41.1 62.6 41 361 A V < - 0 0 25 -5,-2.9 -1,-0.2 -6,-0.2 2,-0.1 -0.753 32.8-132.7 -84.6 124.6 7.5 43.3 64.2 42 362 A S > - 0 0 53 -2,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.383 18.5-115.2 -74.1 159.2 6.9 47.0 63.2 43 363 A A T 4 S+ 0 0 83 2,-0.2 4,-0.3 1,-0.2 -1,-0.1 0.802 120.0 59.8 -64.9 -23.3 9.6 49.3 61.9 44 364 A K T >4 S+ 0 0 156 2,-0.2 3,-2.6 1,-0.2 4,-0.4 0.994 105.4 43.5 -60.9 -65.4 9.0 51.2 65.1 45 365 A E G >4 S+ 0 0 99 1,-0.3 3,-1.4 2,-0.2 7,-0.2 0.801 105.5 65.8 -50.7 -30.5 9.9 48.2 67.3 46 366 A L G 3< S+ 0 0 27 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.610 87.2 69.3 -72.6 -11.6 12.9 47.6 65.0 47 367 A K G < S+ 0 0 155 -3,-2.6 2,-0.4 -4,-0.3 -1,-0.3 0.728 76.0 99.8 -73.4 -24.0 14.3 50.9 66.2 48 368 A N S <> S- 0 0 85 -3,-1.4 4,-2.7 -4,-0.4 5,-0.2 -0.527 72.3-145.3 -60.3 121.5 14.9 49.2 69.6 49 369 A E H > S+ 0 0 167 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.879 96.7 49.0 -58.0 -45.9 18.6 48.2 69.6 50 370 A A H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.937 112.6 48.5 -60.2 -47.7 18.1 45.0 71.6 51 371 A T H > S+ 0 0 46 1,-0.2 4,-2.2 -6,-0.2 -2,-0.2 0.938 111.9 50.0 -56.8 -44.7 15.2 43.9 69.3 52 372 A Q H X S+ 0 0 59 -4,-2.7 4,-2.5 -7,-0.2 -1,-0.2 0.909 108.5 51.2 -59.8 -48.4 17.4 44.6 66.3 53 373 A K H X S+ 0 0 162 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.919 109.7 50.7 -56.2 -45.4 20.4 42.7 67.6 54 374 A F H X S+ 0 0 113 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.901 111.1 48.2 -57.0 -50.9 18.1 39.6 68.2 55 375 A Y H X S+ 0 0 22 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.875 110.1 51.4 -62.7 -40.7 16.7 39.7 64.7 56 376 A R H X S+ 0 0 108 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.931 113.8 44.2 -57.9 -45.6 20.2 40.1 63.1 57 377 A D H X S+ 0 0 84 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.904 111.6 54.1 -65.9 -43.2 21.4 37.0 65.1 58 378 A L H X S+ 0 0 41 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.909 107.5 51.1 -56.2 -44.1 18.2 35.1 64.2 59 379 A A H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 5,-0.2 0.934 109.9 49.1 -60.1 -45.6 18.8 35.8 60.5 60 380 A A H X S+ 0 0 16 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.936 114.5 44.5 -61.9 -45.7 22.3 34.5 60.6 61 381 A K H X S+ 0 0 84 -4,-2.5 4,-2.8 1,-0.2 5,-0.4 0.849 107.0 60.0 -67.5 -37.3 21.3 31.3 62.5 62 382 A E H X S+ 0 0 55 -4,-2.4 4,-2.7 -5,-0.2 6,-0.2 0.927 110.0 41.4 -56.0 -49.1 18.3 30.7 60.2 63 383 A I H < S+ 0 0 0 -4,-1.9 -61,-0.3 2,-0.2 5,-0.3 0.971 115.1 52.6 -59.7 -53.9 20.6 30.5 57.2 64 384 A E H < S+ 0 0 83 -4,-2.3 -62,-0.3 -5,-0.2 -2,-0.2 0.835 125.2 23.8 -45.2 -47.6 23.1 28.4 59.1 65 385 A N H < S+ 0 0 129 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.639 110.2 77.0-106.1 -20.3 20.6 25.8 60.3 66 386 A G S < S- 0 0 19 -4,-2.7 -64,-0.4 -5,-0.4 -3,-0.1 0.046 82.5-118.0 -69.8-171.0 17.8 26.0 57.7 67 387 A G + 0 0 28 -66,-0.1 -65,-0.1 -65,-0.1 -4,-0.1 -0.222 52.6 158.5-124.5 47.7 18.0 24.5 54.3 68 388 A Y - 0 0 15 -5,-0.3 -65,-2.4 -6,-0.2 2,-0.6 -0.266 36.0-142.4 -72.2 151.6 17.7 27.7 52.2 69 389 A K E -bC 3 270A 101 201,-2.7 201,-2.4 -67,-0.2 2,-0.7 -0.974 14.5-164.2-114.0 113.8 18.9 28.0 48.6 70 390 A I E -bC 4 269A 0 -67,-2.9 -65,-3.0 -2,-0.6 2,-0.6 -0.919 5.1-158.3-100.6 108.0 20.4 31.5 47.9 71 391 A T E -bC 5 268A 21 197,-2.3 196,-2.6 -2,-0.7 197,-1.5 -0.817 11.1-163.8 -86.1 121.6 20.6 32.2 44.2 72 392 A T E - C 0 266A 1 -67,-1.9 194,-0.2 -2,-0.6 -63,-0.1 -0.473 28.5-125.9 -98.8 167.1 23.2 34.9 43.4 73 393 A T S S+ 0 0 11 192,-1.9 2,-0.1 -2,-0.2 193,-0.1 0.386 70.4 125.0 -83.7 -0.3 23.6 36.9 40.2 74 394 A I - 0 0 0 191,-0.4 -67,-2.9 -69,-0.3 2,-0.6 -0.394 57.4-141.4 -77.1 130.7 27.3 35.8 40.0 75 395 A D > - 0 0 41 40,-2.7 4,-2.7 -69,-0.2 5,-0.3 -0.869 11.2-147.8 -91.1 114.9 28.5 34.1 36.7 76 396 A Q H > S+ 0 0 78 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.919 92.6 43.5 -54.6 -48.7 30.9 31.3 37.8 77 397 A K H > S+ 0 0 129 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.883 117.7 44.7 -67.3 -40.4 33.2 31.4 34.7 78 398 A I H > S+ 0 0 0 2,-0.2 4,-2.3 3,-0.1 -2,-0.2 0.935 115.2 45.9 -69.9 -47.1 33.4 35.2 34.6 79 399 A H H X S+ 0 0 9 -4,-2.7 4,-2.0 36,-0.4 -2,-0.2 0.936 113.4 50.3 -63.1 -43.5 33.9 35.7 38.3 80 400 A S H X S+ 0 0 63 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.926 109.6 52.2 -60.9 -38.2 36.5 33.0 38.4 81 401 A A H X S+ 0 0 18 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.863 107.4 52.1 -60.3 -42.9 38.3 34.6 35.4 82 402 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.887 107.7 52.2 -63.2 -37.3 38.4 38.0 37.3 83 403 A Q H X S+ 0 0 46 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.917 111.0 46.3 -62.3 -48.8 40.0 36.2 40.3 84 404 A S H X S+ 0 0 62 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.847 109.8 55.5 -65.7 -29.4 42.7 34.7 38.1 85 405 A A H X S+ 0 0 3 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.923 110.2 43.4 -69.8 -44.7 43.3 38.0 36.4 86 406 A V H X S+ 0 0 6 -4,-2.2 4,-1.7 2,-0.2 5,-0.2 0.908 114.8 51.7 -68.5 -35.0 43.9 39.9 39.6 87 407 A A H < S+ 0 0 74 -4,-2.4 -2,-0.2 -5,-0.2 4,-0.2 0.921 120.6 33.0 -59.5 -47.0 46.1 37.0 40.8 88 408 A D H < S+ 0 0 97 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.831 134.1 24.0 -82.8 -33.7 48.2 37.0 37.6 89 409 A Y H >< S+ 0 0 85 -4,-2.8 3,-1.9 -5,-0.2 4,-0.3 0.416 87.4 99.1-121.1 0.5 48.2 40.7 36.7 90 410 A G G >< S+ 0 0 0 -4,-1.7 3,-1.9 -5,-0.3 4,-0.3 0.819 75.4 69.7 -60.1 -31.8 47.6 42.6 40.0 91 411 A Y G > S+ 0 0 147 1,-0.3 3,-1.4 -4,-0.2 -1,-0.3 0.738 81.7 74.0 -57.5 -22.3 51.3 43.2 40.2 92 412 A L G < S+ 0 0 33 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.716 89.3 61.2 -64.9 -18.6 51.0 45.6 37.2 93 413 A L G < S+ 0 0 0 -3,-1.9 2,-0.4 -4,-0.3 -1,-0.3 0.659 75.4 104.2 -78.6 -27.3 49.4 48.1 39.7 94 414 A D < + 0 0 62 -3,-1.4 5,-0.1 -4,-0.3 -3,-0.0 -0.534 42.7 171.2 -64.6 119.4 52.4 48.3 41.9 95 415 A D - 0 0 28 3,-0.5 -1,-0.1 -2,-0.4 272,-0.1 0.018 61.8 -83.3-124.0 21.2 54.0 51.7 41.0 96 416 A G S S+ 0 0 81 2,-0.1 3,-0.1 269,-0.1 -2,-0.1 0.599 109.6 96.6 77.4 15.3 56.7 52.2 43.7 97 417 A T S S- 0 0 37 1,-0.6 2,-0.1 265,-0.0 265,-0.1 0.075 100.8 -85.6-114.5 28.9 54.4 53.6 46.4 98 418 A G S S- 0 0 47 2,-0.1 -1,-0.6 260,-0.0 -3,-0.5 -0.257 80.4 -23.3 94.7 171.9 54.0 50.3 48.2 99 419 A R - 0 0 124 -5,-0.1 2,-0.5 -2,-0.1 -8,-0.1 -0.293 69.6-138.8 -53.0 129.7 51.5 47.5 47.4 100 420 A V - 0 0 0 -10,-0.1 258,-0.2 258,-0.1 2,-0.1 -0.810 10.3-141.9 -98.0 130.1 48.5 49.0 45.6 101 421 A E E -E 357 0B 10 256,-2.4 256,-1.5 -2,-0.5 2,-0.3 -0.477 19.8-168.5 -91.3 163.0 44.9 47.9 46.5 102 422 A V E -E 356 0B 0 254,-0.2 28,-0.3 -2,-0.1 2,-0.3 -0.997 16.2-173.5-148.5 149.4 42.1 47.4 44.0 103 423 A G E +E 355 0B 0 252,-2.1 252,-2.4 -2,-0.3 2,-0.3 -0.989 9.0 177.4-145.8 143.7 38.4 46.9 43.6 104 424 A N E -EF 354 118B 0 14,-1.9 14,-2.6 -2,-0.3 2,-0.4 -0.994 10.3-165.5-140.9 148.0 36.3 46.2 40.5 105 425 A V E -EF 353 117B 0 248,-1.6 248,-2.0 -2,-0.3 2,-0.6 -0.989 6.8-158.3-135.3 127.7 32.6 45.5 39.8 106 426 A L E -EF 352 116B 0 10,-2.8 9,-2.2 -2,-0.4 10,-1.1 -0.910 21.5-177.5-106.5 119.3 31.1 44.0 36.5 107 427 A M E -EF 351 114B 0 244,-2.9 244,-2.3 -2,-0.6 2,-0.4 -0.937 30.8-120.6-123.5 140.6 27.4 44.9 36.1 108 428 A D E >> -E 350 0B 44 5,-2.9 4,-2.5 -2,-0.4 3,-0.8 -0.638 21.9-147.8 -73.8 125.5 24.8 44.0 33.5 109 429 A N T 34 S+ 0 0 0 240,-2.8 -1,-0.1 -2,-0.4 241,-0.1 0.771 93.1 49.6 -71.9 -26.2 23.5 47.3 32.0 110 430 A Q T 34 S+ 0 0 129 239,-0.5 -1,-0.2 1,-0.1 240,-0.1 0.608 127.1 18.8 -87.4 -14.6 19.9 46.0 31.4 111 431 A T T <4 S- 0 0 57 -3,-0.8 -2,-0.2 2,-0.2 -1,-0.1 0.582 88.8-123.7-125.8 -18.2 19.3 44.5 34.8 112 432 A G < + 0 0 0 -4,-2.5 152,-1.4 1,-0.3 2,-0.2 0.433 59.5 150.1 76.1 0.1 21.7 45.9 37.4 113 433 A A B -i 264 0C 12 -5,-0.2 -5,-2.9 150,-0.2 2,-0.6 -0.460 47.5-130.1 -66.1 142.4 22.9 42.3 38.2 114 434 A I E -F 107 0B 0 150,-2.2 -7,-0.2 -7,-0.2 -41,-0.1 -0.770 23.0-176.2 -96.3 113.4 26.5 42.0 39.3 115 435 A L E - 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0 0 9 -4,-1.1 -3,-0.2 -5,-0.3 -4,-0.1 0.854 35.3-174.1 63.6 38.1 39.2 66.4 32.5 197 517 A W < - 0 0 25 -5,-1.4 4,-0.5 -6,-0.3 -1,-0.1 -0.289 17.0-148.6 -59.7 153.4 39.8 70.1 33.0 198 518 A N S > S+ 0 0 29 2,-0.1 4,-2.4 3,-0.1 3,-0.5 0.905 81.8 64.3 -96.9 -41.1 38.3 71.4 36.3 199 519 A I H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.895 100.9 52.8 -57.0 -41.7 37.3 75.1 35.7 200 520 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.895 110.2 48.1 -60.0 -39.7 34.6 74.1 33.1 201 521 A A H > S+ 0 0 0 -3,-0.5 4,-2.5 -4,-0.5 5,-0.3 0.919 109.5 54.4 -68.0 -36.8 33.0 71.6 35.5 202 522 A Y H X S+ 0 0 23 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.957 110.9 44.5 -58.0 -51.4 33.1 74.3 38.3 203 523 A W H X S+ 0 0 46 -4,-2.6 4,-2.3 -39,-0.2 -1,-0.2 0.863 111.3 54.1 -64.1 -36.2 31.2 76.7 36.1 204 524 A T H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.928 111.1 44.2 -64.2 -44.3 28.7 74.1 34.9 205 525 A Y H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.926 111.2 54.9 -72.4 -33.9 27.8 73.2 38.5 206 526 A R H X S+ 0 0 49 -4,-2.5 4,-2.8 -5,-0.3 -1,-0.2 0.891 106.3 51.8 -57.5 -46.7 27.6 76.8 39.4 207 527 A M H X S+ 0 0 26 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.894 108.4 51.4 -58.5 -41.4 25.1 77.3 36.6 208 528 A L H <>S+ 0 0 0 -4,-1.9 5,-2.2 2,-0.2 4,-0.2 0.929 110.9 47.7 -61.3 -46.1 23.0 74.5 38.0 209 529 A R H ><5S+ 0 0 115 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.948 111.4 50.4 -59.2 -48.1 23.0 76.1 41.5 210 530 A E H 3<5S+ 0 0 154 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.821 111.3 48.2 -61.0 -35.0 22.1 79.5 40.1 211 531 A N T 3<5S- 0 0 93 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.356 110.9-123.1 -84.4 -1.9 19.2 78.0 38.1 212 532 A G T < 5 + 0 0 62 -3,-1.8 -3,-0.2 -4,-0.2 2,-0.2 0.835 43.4 179.4 63.0 37.4 18.0 76.1 41.2 213 533 A V < - 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0 0 15 -2,-0.3 4,-2.3 -108,-0.2 5,-0.2 -0.466 35.7-113.7 -80.5 163.7 31.8 52.3 46.9 244 564 A V H > S+ 0 0 1 -114,-0.4 4,-2.5 -110,-0.4 5,-0.2 0.914 117.0 54.3 -66.6 -34.4 32.9 50.8 43.6 245 565 A A H > S+ 0 0 0 -114,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.918 111.1 43.4 -65.3 -44.1 29.6 48.9 43.4 246 566 A Q H > S+ 0 0 23 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.917 114.3 49.5 -67.8 -44.3 27.5 52.0 43.9 247 567 A H H >X S+ 0 0 2 -4,-2.3 4,-1.5 1,-0.2 3,-0.5 0.903 106.1 56.5 -67.4 -34.7 29.5 54.1 41.5 248 568 A T H 3X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.875 100.8 60.2 -56.5 -38.8 29.3 51.4 38.8 249 569 A N H 3X S+ 0 0 0 -4,-1.4 4,-1.1 1,-0.2 -1,-0.2 0.836 101.0 54.5 -61.3 -32.3 25.5 51.7 39.2 250 570 A G H S+ 0 0 0 -4,-1.1 5,-2.2 -3,-0.3 6,-0.4 0.920 110.5 44.2 -67.9 -45.3 22.4 54.3 34.2 254 574 A L H ><5S+ 0 0 3 -4,-1.3 3,-0.8 1,-0.2 -2,-0.2 0.897 115.4 48.4 -64.3 -43.6 24.2 56.4 31.5 255 575 A A H 3<5S+ 0 0 4 -4,-2.6 2,-0.3 1,-0.3 -2,-0.2 0.849 103.7 61.2 -66.4 -34.3 25.1 53.3 29.5 256 576 A N T ><5S- 0 0 22 -4,-2.3 3,-1.7 -5,-0.2 -1,-0.3 -0.085 127.5 -93.8 -88.1 41.6 21.5 51.9 29.7 257 577 A N T < 5S- 0 0 64 -3,-0.8 36,-0.2 -2,-0.3 -3,-0.2 0.757 83.4 -49.8 51.3 35.6 20.2 55.0 27.8 258 578 A G T 3 - 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