==== 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 2Y2M . 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. . 471 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19721.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 67.3 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 . 72 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 4 0.8 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 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 29.3 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 1 1 2 0 1 2 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 3 2 1 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 0 146 0, 0.0 68,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 132.3 26.6 51.7 5.2 2 106 A S - 0 0 0 66,-0.5 13,-1.8 63,-0.4 2,-0.4 -0.454 360.0-164.9 -83.0 145.0 26.7 48.2 3.7 3 107 A E E -Ab 14 71A 59 67,-2.4 69,-3.0 11,-0.2 2,-0.4 -0.997 16.9-147.6-130.3 143.5 24.8 47.5 0.4 4 108 A I E -Ab 13 72A 0 9,-2.5 8,-3.3 -2,-0.4 9,-1.4 -0.918 30.0-166.2-103.2 132.8 23.8 44.4 -1.4 5 109 A T E -Ab 11 73A 0 67,-3.0 69,-2.3 -2,-0.4 71,-0.3 -0.885 21.6-114.8-121.1 154.8 23.8 44.9 -5.2 6 110 A Y > - 0 0 25 4,-3.1 3,-2.1 -2,-0.3 71,-0.2 -0.195 54.1 -86.2 -68.3 173.1 22.5 43.3 -8.3 7 111 A S T 3 S+ 0 0 63 69,-3.2 70,-0.1 1,-0.3 -1,-0.1 0.805 130.3 51.7 -57.3 -33.1 25.1 41.9 -10.7 8 112 A D T 3 S- 0 0 111 68,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.404 123.2-100.5 -87.7 8.1 25.4 45.3 -12.4 9 113 A G S < S+ 0 0 39 -3,-2.1 -2,-0.1 1,-0.3 2,-0.1 0.301 73.8 144.0 96.4 -12.0 26.0 47.2 -9.2 10 114 A T - 0 0 56 -5,-0.1 -4,-3.1 1,-0.1 -1,-0.3 -0.415 57.7-110.7 -58.8 128.7 22.4 48.6 -8.7 11 115 A V E -A 5 0A 59 -6,-0.2 -6,-0.3 1,-0.2 3,-0.1 -0.515 30.5-174.3 -72.8 127.7 21.7 48.6 -5.0 12 116 A I E - 0 0 33 -8,-3.3 2,-0.3 1,-0.4 -7,-0.2 0.873 69.3 -34.0 -77.1 -50.7 19.1 46.0 -3.9 13 117 A A E -A 4 0A 15 -9,-1.4 -9,-2.5 4,-0.1 -1,-0.4 -0.976 51.5-111.3-162.8 155.6 19.1 47.4 -0.3 14 118 A S E A 3 0A 65 -2,-0.3 -11,-0.2 -11,-0.2 52,-0.1 -0.554 360.0 360.0 -72.6 155.8 21.1 49.0 2.5 15 119 A I 0 0 49 -13,-1.8 -13,-0.3 -2,-0.2 -1,-0.0 -0.755 360.0 360.0-100.2 360.0 21.7 46.7 5.5 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 17 335 A S 0 0 72 0, 0.0 -4,-0.1 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 -7.4 14.4 44.5 2.5 18 336 A R + 0 0 152 4,-0.0 2,-0.3 5,-0.0 108,-0.1 -0.331 360.0 77.2-123.2 44.6 11.2 42.5 3.0 19 337 A D S > S- 0 0 64 106,-0.1 4,-2.1 1,-0.1 5,-0.3 -0.954 88.7 -98.6-148.2 174.1 11.7 39.8 0.4 20 338 A Y H > S+ 0 0 5 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.805 115.5 60.2 -59.5 -42.7 13.5 36.6 -0.5 21 339 A L H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.947 108.2 43.9 -55.2 -46.6 16.2 38.4 -2.4 22 340 A Y H > S+ 0 0 27 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.962 118.0 41.6 -66.2 -55.2 17.3 40.4 0.6 23 341 A F H X S+ 0 0 86 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.871 116.2 50.0 -66.2 -36.2 17.2 37.6 3.2 24 342 A T H X S+ 0 0 15 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.928 115.8 40.4 -60.8 -51.2 18.8 35.0 0.8 25 343 A T H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.3 5,-0.2 0.910 116.5 50.4 -71.5 -38.7 21.7 37.2 -0.3 26 344 A L H X S+ 0 0 17 -4,-2.7 4,-3.0 -5,-0.3 5,-0.2 0.947 109.6 51.2 -63.4 -42.7 22.3 38.6 3.3 27 345 A A H X S+ 0 0 45 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.909 113.7 44.7 -60.5 -43.2 22.3 35.0 4.8 28 346 A E H X S+ 0 0 50 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.934 112.5 50.1 -69.9 -40.0 24.8 33.9 2.2 29 347 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.912 108.5 55.0 -64.1 -38.5 27.0 37.1 2.7 30 348 A Q H X S+ 0 0 56 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.916 107.2 49.9 -59.7 -42.7 26.8 36.5 6.5 31 349 A E H X S+ 0 0 98 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.892 111.7 46.8 -64.7 -38.2 28.2 33.0 6.0 32 350 A R H X S+ 0 0 58 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.883 112.1 51.1 -69.2 -40.2 31.1 34.2 3.8 33 351 A M H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.2 5,-0.3 0.915 106.9 55.7 -61.6 -39.7 31.8 37.0 6.4 34 352 A Y H X S+ 0 0 11 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.943 109.8 44.8 -54.9 -52.3 31.8 34.3 9.1 35 353 A D H X S+ 0 0 89 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.935 115.0 48.8 -61.3 -42.5 34.6 32.3 7.2 36 354 A Y H X S+ 0 0 44 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.907 113.3 45.6 -63.3 -44.6 36.5 35.6 6.6 37 355 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.904 112.2 50.4 -71.9 -36.7 36.4 36.8 10.2 38 356 A A H <>S+ 0 0 3 -4,-2.5 5,-3.2 -5,-0.3 -1,-0.2 0.930 114.8 44.0 -65.5 -43.4 37.3 33.4 11.7 39 357 A Q H ><5S+ 0 0 123 -4,-2.2 3,-1.5 -5,-0.2 -2,-0.2 0.918 112.8 52.6 -67.7 -40.9 40.3 33.1 9.3 40 358 A R H 3<5S+ 0 0 100 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.927 110.9 46.5 -60.4 -44.4 41.3 36.8 10.0 41 359 A D T 3<5S- 0 0 55 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.323 115.5-117.8 -82.9 6.7 41.2 36.2 13.8 42 360 A N T < 5 + 0 0 136 -3,-1.5 2,-0.7 1,-0.2 -3,-0.2 0.921 54.7 162.8 63.2 41.2 43.2 33.1 13.3 43 361 A V < - 0 0 20 -5,-3.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.886 32.6-133.6 -97.3 118.0 40.5 30.8 14.7 44 362 A S > - 0 0 50 -2,-0.7 4,-2.2 1,-0.1 5,-0.2 -0.215 19.9-112.6 -68.0 158.3 41.2 27.2 13.7 45 363 A A T 4 S+ 0 0 81 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 0.785 122.7 55.0 -62.1 -21.1 38.5 24.8 12.3 46 364 A K T >4 S+ 0 0 154 2,-0.2 3,-2.1 1,-0.2 4,-0.5 0.957 106.6 47.0 -70.5 -54.8 39.1 23.0 15.6 47 365 A E G >4 S+ 0 0 92 1,-0.3 3,-1.2 2,-0.2 -2,-0.2 0.815 106.2 61.7 -54.0 -32.7 38.4 26.1 17.7 48 366 A L G 3< S+ 0 0 28 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.580 87.9 71.5 -73.4 -12.2 35.3 26.7 15.5 49 367 A K G < S+ 0 0 156 -3,-2.1 2,-0.3 -4,-0.2 -1,-0.3 0.717 74.3 100.3 -70.6 -27.5 33.9 23.3 16.7 50 368 A N S <> S- 0 0 87 -3,-1.2 4,-2.6 -4,-0.5 5,-0.2 -0.501 73.2-143.5 -62.3 122.1 33.3 25.0 20.0 51 369 A E H > S+ 0 0 176 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.904 97.2 47.3 -60.0 -43.7 29.6 25.9 20.1 52 370 A A H > S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.893 111.9 50.6 -67.1 -37.3 30.0 29.2 22.0 53 371 A T H > S+ 0 0 46 1,-0.2 4,-2.4 -6,-0.2 -2,-0.2 0.947 111.8 48.9 -64.9 -40.0 32.9 30.4 19.7 54 372 A Q H X S+ 0 0 62 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.908 108.7 51.1 -63.2 -45.1 30.8 29.6 16.7 55 373 A K H X S+ 0 0 166 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.936 111.2 50.3 -57.6 -47.4 27.8 31.5 18.1 56 374 A F H X S+ 0 0 110 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.937 110.9 47.9 -57.4 -49.7 30.0 34.5 18.7 57 375 A Y H X S+ 0 0 21 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.867 109.7 52.6 -62.6 -38.4 31.5 34.4 15.2 58 376 A R H X S+ 0 0 104 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.913 113.2 44.0 -61.0 -43.4 28.1 34.2 13.6 59 377 A D H X S+ 0 0 79 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.911 111.4 53.3 -63.0 -44.4 27.0 37.2 15.5 60 378 A L H X S+ 0 0 42 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.894 108.7 51.2 -59.0 -44.4 30.2 39.1 14.7 61 379 A A H X S+ 0 0 1 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.904 110.8 47.4 -57.9 -49.7 29.6 38.4 11.0 62 380 A A H X S+ 0 0 16 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.941 115.7 43.9 -57.1 -51.0 26.0 39.7 11.1 63 381 A K H X S+ 0 0 82 -4,-2.7 4,-2.8 1,-0.2 5,-0.4 0.850 106.9 60.8 -62.9 -36.5 27.0 42.9 13.0 64 382 A E H X S+ 0 0 53 -4,-2.5 4,-2.1 -5,-0.3 6,-0.3 0.901 109.8 41.6 -61.9 -41.7 30.1 43.4 10.8 65 383 A I H < S+ 0 0 0 -4,-1.7 -63,-0.4 1,-0.2 5,-0.3 0.971 115.4 51.2 -67.6 -48.6 27.8 43.7 7.8 66 384 A E H < S+ 0 0 89 -4,-2.5 -64,-0.3 1,-0.2 -2,-0.2 0.820 124.1 27.4 -50.3 -45.1 25.3 45.8 9.7 67 385 A N H < S+ 0 0 125 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.674 109.7 76.9 -97.6 -25.4 27.8 48.3 10.9 68 386 A G S < S- 0 0 20 -4,-2.1 -66,-0.5 -5,-0.4 -3,-0.1 0.222 80.4-119.9 -74.0-164.8 30.5 48.1 8.2 69 387 A G + 0 0 26 -68,-0.2 -4,-0.1 -67,-0.0 -67,-0.1 -0.160 53.7 155.3-131.3 42.4 30.5 49.7 4.8 70 388 A Y - 0 0 13 -5,-0.3 -67,-2.4 -6,-0.3 2,-0.5 -0.327 37.1-142.2 -77.1 151.5 30.8 46.5 2.7 71 389 A K E -bC 3 272A 91 201,-2.7 201,-2.8 -69,-0.2 2,-0.7 -0.961 13.1-163.4-113.8 121.1 29.6 46.1 -0.8 72 390 A I E -bC 4 271A 0 -69,-3.0 -67,-3.0 -2,-0.5 2,-0.6 -0.913 4.6-158.9-107.7 110.6 28.1 42.7 -1.5 73 391 A T E -bC 5 270A 20 197,-2.4 196,-2.7 -2,-0.7 197,-1.5 -0.803 11.6-164.4 -92.1 119.3 27.9 42.0 -5.3 74 392 A T E - C 0 268A 0 -69,-2.3 194,-0.3 -2,-0.6 -65,-0.2 -0.491 28.4-125.2 -94.4 171.4 25.4 39.3 -6.1 75 393 A T S S+ 0 0 11 192,-2.1 2,-0.2 -2,-0.2 193,-0.1 0.364 70.3 125.7 -88.0 1.2 25.0 37.3 -9.3 76 394 A I - 0 0 0 191,-0.4 -69,-3.2 -71,-0.3 2,-0.6 -0.472 57.3-140.9 -78.7 131.9 21.3 38.4 -9.5 77 395 A D > - 0 0 39 40,-2.6 4,-3.3 -2,-0.2 5,-0.4 -0.846 11.0-148.2 -93.3 116.0 20.2 40.1 -12.8 78 396 A Q H > S+ 0 0 70 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.911 93.2 43.4 -56.0 -54.5 17.8 42.9 -11.7 79 397 A K H > S+ 0 0 133 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.874 118.2 45.0 -57.2 -43.2 15.5 42.8 -14.8 80 398 A I H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.936 115.3 44.6 -69.8 -52.8 15.3 39.0 -14.9 81 399 A H H X S+ 0 0 7 -4,-3.3 4,-2.3 36,-0.4 -2,-0.2 0.933 113.4 52.5 -60.1 -40.3 14.8 38.5 -11.1 82 400 A S H X S+ 0 0 50 -4,-2.8 4,-2.2 -5,-0.4 -1,-0.2 0.914 109.6 49.8 -58.2 -44.4 12.2 41.3 -11.2 83 401 A A H X S+ 0 0 18 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.873 108.3 53.0 -62.4 -37.2 10.4 39.5 -14.1 84 402 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.901 107.6 50.8 -66.8 -39.4 10.4 36.3 -12.2 85 403 A Q H X S+ 0 0 42 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.895 112.1 46.8 -61.3 -45.3 8.8 38.0 -9.2 86 404 A S H X S+ 0 0 67 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.886 109.3 55.4 -62.9 -37.2 6.0 39.4 -11.4 87 405 A A H X S+ 0 0 4 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.916 111.9 42.1 -63.3 -47.6 5.5 36.1 -13.1 88 406 A V H X S+ 0 0 6 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.895 115.6 49.7 -68.1 -36.9 4.9 34.3 -9.8 89 407 A A H < S+ 0 0 74 -4,-2.3 -2,-0.2 -5,-0.2 4,-0.2 0.910 121.8 34.8 -62.5 -42.6 2.7 37.2 -8.5 90 408 A D H < S+ 0 0 94 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.837 134.1 22.1 -83.7 -34.3 0.7 37.2 -11.7 91 409 A Y H >< S+ 0 0 86 -4,-3.0 3,-1.8 -5,-0.2 4,-0.2 0.377 87.8 99.0-122.5 2.2 0.6 33.5 -12.6 92 410 A G G >< S+ 0 0 0 -4,-1.9 3,-2.2 -5,-0.3 4,-0.3 0.827 75.8 69.9 -58.1 -28.6 1.3 31.6 -9.4 93 411 A Y G > S+ 0 0 148 1,-0.3 3,-1.2 -5,-0.2 -1,-0.3 0.721 82.0 73.6 -64.3 -20.3 -2.4 31.0 -9.1 94 412 A L G < S+ 0 0 32 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.729 89.5 61.5 -63.0 -16.5 -2.1 28.6 -12.1 95 413 A L G < S+ 0 0 0 -3,-2.2 -1,-0.2 -4,-0.2 2,-0.2 0.703 75.2 104.2 -81.8 -20.6 -0.5 26.2 -9.6 96 414 A D < + 0 0 59 -3,-1.2 5,-0.1 -4,-0.3 -3,-0.0 -0.462 42.5 171.0 -74.6 119.6 -3.5 25.9 -7.4 97 415 A D - 0 0 28 3,-0.6 -1,-0.1 -2,-0.2 272,-0.1 0.032 61.8 -83.5-120.7 13.2 -5.0 22.5 -8.3 98 416 A G S S+ 0 0 78 2,-0.1 3,-0.1 269,-0.1 -2,-0.1 0.599 109.1 96.9 82.7 18.3 -7.7 22.0 -5.7 99 417 A T S S- 0 0 37 1,-0.6 2,-0.1 265,-0.0 265,-0.1 0.036 101.1 -86.4-118.8 25.5 -5.4 20.6 -2.9 100 418 A G S S- 0 0 47 2,-0.1 -1,-0.6 260,-0.0 -3,-0.6 -0.289 81.5 -20.6 90.5 175.9 -5.1 24.0 -1.2 101 419 A R - 0 0 119 -5,-0.1 2,-0.5 -2,-0.1 -8,-0.1 -0.303 69.5-140.2 -61.2 130.2 -2.5 26.7 -1.9 102 420 A V - 0 0 0 -10,-0.1 258,-0.2 258,-0.1 -7,-0.1 -0.842 10.3-143.6 -98.5 129.4 0.4 25.3 -3.8 103 421 A E E -E 359 0B 10 256,-2.4 256,-1.6 -2,-0.5 2,-0.3 -0.398 17.8-167.6 -93.0 164.3 4.0 26.4 -3.0 104 422 A V E -E 358 0B 0 254,-0.2 28,-0.4 -2,-0.1 2,-0.3 -1.000 16.1-171.6-150.2 147.1 6.7 26.8 -5.5 105 423 A G E +E 357 0B 0 252,-2.3 252,-2.4 -2,-0.3 2,-0.3 -0.990 10.4 176.4-140.4 143.6 10.5 27.4 -5.9 106 424 A N E -EF 356 120B 0 14,-2.1 14,-2.5 -2,-0.3 2,-0.4 -0.989 9.9-167.4-142.6 146.9 12.5 28.1 -9.0 107 425 A V E -EF 355 119B 0 248,-1.4 248,-2.4 -2,-0.3 2,-0.5 -0.990 7.6-157.5-134.1 128.4 16.2 28.9 -9.6 108 426 A L E -EF 354 118B 0 10,-3.0 9,-2.3 -2,-0.4 10,-1.2 -0.923 20.8-176.9-105.9 125.8 17.6 30.3 -12.9 109 427 A M E -EF 353 116B 0 244,-2.9 244,-2.6 -2,-0.5 2,-0.5 -0.950 30.5-121.4-129.8 139.8 21.3 29.5 -13.4 110 428 A D E >> -E 352 0B 41 5,-2.6 4,-2.6 -2,-0.4 3,-0.7 -0.667 22.4-148.0 -75.2 121.8 23.9 30.4 -16.1 111 429 A N T 34 S+ 0 0 0 240,-2.8 241,-0.1 -2,-0.5 -1,-0.1 0.767 93.0 50.4 -66.5 -26.7 25.2 27.0 -17.4 112 430 A Q T 34 S+ 0 0 120 239,-0.5 -1,-0.2 1,-0.1 240,-0.1 0.637 126.9 19.3 -87.9 -14.3 28.7 28.3 -18.1 113 431 A T T <4 S- 0 0 57 -3,-0.7 -2,-0.2 2,-0.2 3,-0.1 0.625 88.9-124.0-128.0 -15.3 29.3 29.9 -14.7 114 432 A G < + 0 0 0 -4,-2.6 152,-1.5 1,-0.3 2,-0.2 0.441 59.3 151.5 71.3 3.6 26.9 28.5 -12.1 115 433 A A B -i 266 0C 12 -5,-0.2 -5,-2.6 150,-0.2 2,-0.6 -0.442 46.6-131.4 -66.2 140.1 25.8 32.1 -11.4 116 434 A I E -F 109 0B 1 150,-2.2 -7,-0.3 -7,-0.2 3,-0.1 -0.786 23.8-177.2 -97.4 114.0 22.2 32.3 -10.1 117 435 A L E - 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0 0 9 -4,-1.5 -3,-0.2 -5,-0.3 -4,-0.1 0.843 34.8-173.9 61.1 39.7 9.6 8.0 -16.8 199 517 A W < - 0 0 20 -5,-1.4 4,-0.4 -6,-0.3 -1,-0.1 -0.274 16.1-147.7 -60.3 154.1 9.0 4.3 -16.3 200 518 A N S > S+ 0 0 29 2,-0.1 4,-2.3 3,-0.1 3,-0.5 0.887 82.7 63.7 -97.4 -39.0 10.5 3.0 -13.0 201 519 A I H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.905 101.5 52.4 -59.3 -41.7 11.6 -0.5 -13.6 202 520 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.894 111.1 47.4 -61.8 -32.6 14.2 0.4 -16.2 203 521 A A H > S+ 0 0 0 -3,-0.5 4,-2.4 -4,-0.4 5,-0.2 0.879 109.9 53.5 -77.1 -37.4 15.8 2.9 -13.8 204 522 A Y H X S+ 0 0 23 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.939 112.1 45.0 -58.5 -48.4 15.7 0.3 -11.0 205 523 A W H X S+ 0 0 44 -4,-2.8 4,-2.2 -39,-0.2 -2,-0.2 0.880 110.4 54.0 -64.2 -38.6 17.6 -2.1 -13.3 206 524 A T H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.940 112.2 43.3 -62.1 -44.2 20.1 0.5 -14.4 207 525 A Y H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.869 110.0 56.5 -72.8 -34.9 21.0 1.5 -10.9 208 526 A R H X S+ 0 0 46 -4,-2.3 4,-3.1 -5,-0.2 -1,-0.2 0.912 106.5 51.6 -57.0 -39.6 21.2 -2.2 -9.9 209 527 A M H X S+ 0 0 24 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.908 107.3 51.3 -66.3 -44.5 23.7 -2.7 -12.7 210 528 A L H X>S+ 0 0 0 -4,-1.8 5,-2.6 2,-0.2 4,-0.5 0.912 113.4 46.5 -57.0 -43.2 25.8 0.2 -11.3 211 529 A R H ><5S+ 0 0 108 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.940 111.4 49.9 -64.6 -47.8 25.8 -1.4 -7.9 212 530 A E H 3<5S+ 0 0 148 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.859 112.8 47.8 -60.8 -36.7 26.6 -4.8 -9.2 213 531 A N H 3<5S- 0 0 90 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.489 111.5-120.7 -83.8 -2.7 29.5 -3.4 -11.1 214 532 A G T <<5 - 0 0 64 -3,-1.4 -3,-0.2 -4,-0.5 2,-0.2 0.835 44.6-180.0 70.5 30.4 30.8 -1.4 -8.1 215 533 A V < - 0 0 23 -5,-2.6 2,-2.4 -6,-0.2 3,-0.3 -0.468 35.3-121.5 -66.3 136.2 30.5 1.9 -9.9 216 534 A D > + 0 0 108 1,-0.2 4,-1.1 -2,-0.2 3,-0.2 -0.444 47.9 159.3 -78.4 74.7 31.5 4.9 -7.8 217 535 A V H > S+ 0 0 6 -2,-2.4 4,-2.3 1,-0.2 3,-0.5 0.901 70.4 59.2 -64.5 -39.3 28.2 6.7 -8.1 218 536 A K H > S+ 0 0 98 -3,-0.3 4,-3.3 1,-0.2 5,-0.3 0.858 97.7 62.2 -59.1 -37.0 29.0 8.8 -5.0 219 537 A G H > S+ 0 0 17 -3,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.927 108.2 40.8 -51.9 -51.9 32.0 10.1 -6.8 220 538 A Y H X S+ 0 0 19 -4,-1.1 4,-1.1 -3,-0.5 -2,-0.2 0.915 117.7 46.9 -60.5 -51.2 29.7 11.7 -9.5 221 539 A M H ><>S+ 0 0 1 -4,-2.3 5,-2.1 1,-0.2 3,-0.6 0.927 111.5 48.6 -68.0 -37.5 27.1 12.9 -7.2 222 540 A E H ><5S+ 0 0 109 -4,-3.3 3,-1.4 1,-0.2 -1,-0.2 0.842 103.3 62.8 -73.9 -23.7 29.5 14.5 -4.6 223 541 A K H 3<5S+ 0 0 108 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.830 106.0 47.2 -67.6 -25.3 31.4 16.2 -7.5 224 542 A M T <<5S- 0 0 0 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.376 124.5-105.6 -96.5 5.3 28.1 18.1 -8.2 225 543 A G T < 5 + 0 0 34 -3,-1.4 -3,-0.2 1,-0.3 2,-0.2 0.512 68.9 147.1 89.7 7.1 27.6 18.9 -4.5 226 544 A Y < - 0 0 5 -5,-2.1 2,-0.5 -6,-0.2 -1,-0.3 -0.511 35.8-152.9 -77.2 151.0 24.9 16.4 -3.7 227 545 A E + 0 0 147 16,-0.2 16,-0.4 -2,-0.2 -1,-0.0 -0.961 20.5 169.5-124.6 111.4 24.7 14.8 -0.2 228 546 A I - 0 0 10 -2,-0.5 3,-0.2 1,-0.1 14,-0.1 -0.995 21.7-156.9-125.2 124.1 23.1 11.3 -0.1 229 547 A P S S+ 0 0 120 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.852 79.1 28.0 -75.8 -32.9 23.3 9.3 3.1 230 548 A E > - 0 0 106 11,-0.5 3,-0.7 1,-0.1 0, 0.0 -0.955 54.1-175.3-137.2 110.8 22.8 5.7 1.7 231 549 A Y T 3 S+ 0 0 17 -2,-0.4 -1,-0.1 1,-0.2 5,-0.1 0.549 78.1 73.7 -85.3 -5.9 23.8 4.8 -1.9 232 550 A G T 3 + 0 0 21 4,-0.0 -1,-0.2 3,-0.0 2,-0.1 0.566 64.4 123.3 -81.9 -5.1 22.4 1.2 -1.6 233 551 A I X - 0 0 57 -3,-0.7 3,-1.6 1,-0.2 7,-0.1 -0.332 56.2-149.0 -61.1 119.4 18.7 2.5 -1.8 234 552 A E T 3 S+ 0 0 44 1,-0.3 -1,-0.2 -2,-0.1 -27,-0.1 0.741 94.2 51.7 -62.6 -27.7 17.1 0.7 -4.8 235 553 A S T > >S+ 0 0 36 1,-0.2 5,-2.4 2,-0.1 3,-1.3 0.220 70.5 115.1 -98.4 14.9 14.8 3.6 -5.5 236 554 A L G X 5S+ 0 0 0 -3,-1.6 3,-2.1 1,-0.3 -1,-0.2 0.897 75.3 54.6 -51.5 -40.1 17.5 6.2 -5.6 237 555 A P G 3 5S+ 0 0 0 0, 0.0 -92,-0.6 0, 0.0 -93,-0.4 0.793 107.5 51.3 -67.5 -23.8 16.8 6.9 -9.3 238 556 A M G < 5S- 0 0 30 -3,-1.3 -2,-0.2 -94,-0.2 -96,-0.2 0.316 131.1 -95.5 -91.3 9.9 13.1 7.5 -8.4 239 557 A G T X 5S+ 0 0 2 -3,-2.1 3,-1.1 1,-0.3 -98,-0.3 0.476 75.5 145.8 90.7 4.4 14.2 10.0 -5.7 240 558 A G T 3 - 0 0 14 -2,-0.3 4,-2.5 -108,-0.2 5,-0.2 -0.495 35.2-115.3 -82.2 164.8 17.0 22.2 -2.6 246 564 A V H > S+ 0 0 2 -114,-0.4 4,-2.5 -110,-0.4 5,-0.2 0.924 116.8 54.4 -68.5 -34.3 15.9 23.5 -5.9 247 565 A A H > S+ 0 0 0 -114,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.942 110.8 45.1 -68.2 -37.9 19.2 25.5 -6.1 248 566 A Q H > S+ 0 0 23 -115,-0.2 4,-1.0 1,-0.2 3,-0.3 0.931 114.5 47.4 -66.6 -46.8 21.3 22.4 -5.6 249 567 A H H X S+ 0 0 1 -4,-2.5 4,-1.6 1,-0.2 3,-0.5 0.874 105.2 58.6 -67.8 -33.4 19.3 20.3 -8.0 250 568 A T H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.866 101.1 59.9 -55.5 -38.9 19.4 23.0 -10.7 251 569 A N H X S+ 0 0 0 -4,-1.4 4,-1.5 -3,-0.3 -1,-0.2 0.847 100.1 53.2 -66.8 -27.7 23.2 22.6 -10.4 252 570 A G H X S+ 0 0 0 -4,-1.0 4,-1.6 -3,-0.5 -1,-0.2 0.925 111.5 45.4 -72.3 -38.8 23.0 19.0 -11.4 253 571 A Y H X S+ 0 0 4 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.878 107.1 59.6 -71.0 -33.1 21.1 19.9 -14.5 254 572 A Q H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.897 103.1 53.6 -51.2 -46.5 23.5 22.7 -15.1 255 573 A T H <>S+ 0 0 0 -4,-1.5 5,-2.0 2,-0.2 6,-0.4 0.937 110.7 44.0 -60.7 -41.6 26.3 20.1 -15.3 256 574 A L H ><5S+ 0 0 3 -4,-1.6 3,-0.8 1,-0.2 -2,-0.2 0.924 115.3 48.5 -71.5 -40.2 24.5 18.0 -17.9 257 575 A A H 3<5S+ 0 0 3 -4,-2.7 2,-0.4 1,-0.3 -1,-0.2 0.831 103.8 61.8 -67.0 -36.7 23.6 21.1 -20.0 258 576 A N T ><5S- 0 0 26 -4,-2.4 3,-1.8 -5,-0.2 -1,-0.3 -0.151 127.8 -94.6 -84.8 36.0 27.1 22.4 -19.8 259 577 A N T < 5S- 0 0 64 -3,-0.8 36,-0.2 -2,-0.4 -3,-0.2 0.784 83.3 -49.5 55.7 34.3 28.4 19.3 -21.7 260 578 A G T 3 - 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