==== 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 2Y2L . 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. . 948 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39503.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 635 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 146 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 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 . 64 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 272 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 2.8 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 4 1 3 3 2 0 0 0 5 1 2 0 3 3 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 0 PARALLEL BRIDGES PER LADDER . 7 2 5 6 1 4 2 2 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 . 6 2 0 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 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 0 130 0, 0.0 2,-0.2 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 128.8 43.7 99.0 17.8 2 106 A S E -A 15 0A 0 13,-0.5 13,-1.9 64,-0.3 2,-0.4 -0.653 360.0-158.3 -85.4 150.0 45.6 99.5 21.1 3 107 A E E -Ab 14 72A 73 68,-2.7 70,-3.2 11,-0.3 2,-0.4 -0.985 13.7-148.5-131.8 145.2 48.8 97.6 21.9 4 108 A I E -Ab 13 73A 0 9,-2.4 8,-3.7 -2,-0.4 9,-0.9 -0.926 27.4-168.0 -98.4 133.0 50.8 96.6 25.0 5 109 A T E -Ab 11 74A 1 68,-3.4 70,-2.3 -2,-0.4 72,-0.3 -0.872 22.8-112.5-119.4 160.0 54.6 96.3 24.5 6 110 A Y > - 0 0 28 4,-2.7 3,-1.8 -2,-0.3 72,-0.2 -0.298 54.1 -87.4 -66.7 170.5 57.7 95.1 26.3 7 111 A S T 3 S+ 0 0 72 70,-2.9 71,-0.1 1,-0.3 -1,-0.1 0.734 130.0 53.7 -58.7 -25.3 60.2 97.6 27.5 8 112 A D T 3 S- 0 0 112 69,-0.3 -1,-0.3 2,-0.1 70,-0.1 0.622 123.7 -99.9 -86.9 -13.8 62.0 97.5 24.1 9 113 A G S < S+ 0 0 38 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.304 72.8 145.2 115.3 -3.7 58.8 98.3 22.1 10 114 A T - 0 0 54 1,-0.1 -4,-2.7 -5,-0.1 -1,-0.3 -0.512 56.1-111.6 -68.3 124.4 58.0 94.7 21.0 11 115 A V E -A 5 0A 63 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.339 29.0-174.2 -61.8 127.5 54.2 94.2 20.9 12 116 A I E - 0 0 36 -8,-3.7 2,-0.3 1,-0.4 -7,-0.2 0.890 68.3 -45.1 -77.3 -62.9 52.9 91.8 23.6 13 117 A A E -A 4 0A 33 -9,-0.9 -9,-2.4 10,-0.1 -1,-0.4 -0.958 51.6-108.1-149.6 172.0 49.4 91.9 22.1 14 118 A S E -A 3 0A 51 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.3 -0.863 39.8-117.7 -93.2 144.8 46.8 94.2 20.7 15 119 A I E +A 2 0A 5 -13,-1.9 -13,-0.5 -2,-0.4 2,-0.3 -0.605 38.8 173.4 -78.5 138.9 43.7 94.8 23.0 16 120 A E 0 0 135 -2,-0.3 51,-0.1 1,-0.1 52,-0.1 -0.928 360.0 360.0-154.8 130.0 40.4 93.7 21.6 17 121 A S 0 0 142 -2,-0.3 -1,-0.1 50,-0.2 47,-0.1 0.918 360.0 360.0 37.6 360.0 36.9 93.5 22.9 18 ! 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 19 336 A R 0 0 191 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 18.1 45.7 83.9 27.5 20 337 A D > - 0 0 61 1,-0.1 4,-1.8 106,-0.1 5,-0.2 -0.871 360.0-104.1-130.0 171.7 48.5 84.4 30.0 21 338 A Y H > S+ 0 0 5 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.838 116.0 62.3 -50.2 -43.9 49.4 86.3 33.2 22 339 A L H > S+ 0 0 14 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.937 106.7 43.9 -58.2 -46.6 51.5 88.7 31.2 23 340 A Y H > S+ 0 0 41 -3,-0.2 4,-2.9 2,-0.2 5,-0.2 0.960 118.7 39.9 -57.1 -57.5 48.5 90.0 29.2 24 341 A F H X S+ 0 0 92 -4,-1.8 4,-2.9 1,-0.3 -2,-0.2 0.861 115.6 51.8 -74.1 -29.6 46.0 90.3 32.0 25 342 A T H X S+ 0 0 7 -4,-2.9 4,-1.8 -5,-0.2 -1,-0.3 0.912 114.8 40.5 -70.8 -42.2 48.5 91.8 34.4 26 343 A T H X S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.3 -2,-0.2 0.946 117.4 48.6 -81.1 -40.7 49.7 94.5 32.1 27 344 A L H X S+ 0 0 17 -4,-2.9 4,-3.0 -5,-0.2 -2,-0.2 0.923 109.3 53.9 -50.6 -53.3 46.2 95.2 30.8 28 345 A A H X S+ 0 0 39 -4,-2.9 4,-1.6 -5,-0.2 -2,-0.2 0.909 113.8 41.1 -53.0 -46.2 44.8 95.4 34.4 29 346 A E H X S+ 0 0 38 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.849 110.8 55.8 -77.1 -36.8 47.5 98.0 35.4 30 347 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.939 108.7 50.5 -51.2 -44.2 47.1 99.9 32.1 31 348 A Q H X S+ 0 0 57 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.856 107.1 52.9 -67.2 -36.0 43.5 100.1 33.0 32 349 A E H X S+ 0 0 69 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.903 110.6 47.0 -60.1 -47.8 44.3 101.4 36.5 33 350 A R H X S+ 0 0 67 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.893 112.1 51.1 -62.9 -35.6 46.5 104.2 35.0 34 351 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.899 106.9 54.8 -70.7 -33.6 43.7 105.0 32.5 35 352 A Y H X S+ 0 0 14 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.921 108.3 46.7 -64.9 -46.9 41.2 105.2 35.3 36 353 A D H X S+ 0 0 83 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.917 113.6 51.5 -60.7 -39.1 43.2 107.8 37.2 37 354 A Y H X S+ 0 0 57 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.919 112.3 42.8 -67.8 -42.4 43.7 109.7 33.9 38 355 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.909 113.5 52.6 -70.1 -37.9 39.9 109.8 33.1 39 356 A A H <>S+ 0 0 4 -4,-2.6 5,-2.8 -5,-0.2 -2,-0.2 0.910 115.1 42.1 -65.1 -38.2 39.0 110.7 36.6 40 357 A Q H ><5S+ 0 0 150 -4,-2.4 3,-2.3 -5,-0.3 -2,-0.2 0.969 112.4 53.2 -72.0 -48.2 41.4 113.5 36.5 41 358 A R H 3<5S+ 0 0 124 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.857 114.4 43.4 -52.5 -40.2 40.4 114.6 33.0 42 359 A D T 3<5S- 0 0 61 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.389 110.3-125.6 -89.0 5.5 36.8 114.7 34.1 43 360 A N T < 5 - 0 0 133 -3,-2.3 2,-0.6 1,-0.2 -3,-0.2 0.943 39.2-177.3 46.0 54.2 37.8 116.5 37.3 44 361 A V < - 0 0 19 -5,-2.8 -1,-0.2 -6,-0.1 5,-0.1 -0.779 24.6-119.0 -82.1 120.4 36.0 113.9 39.5 45 362 A S > - 0 0 39 -2,-0.6 4,-2.5 1,-0.1 5,-0.2 -0.002 18.0-110.3 -62.1 154.0 36.3 114.8 43.2 46 363 A A H > S+ 0 0 78 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.863 119.8 48.6 -44.4 -46.7 37.9 112.8 46.0 47 364 A K H >4 S+ 0 0 152 2,-0.2 3,-0.6 1,-0.2 4,-0.5 0.886 108.3 51.9 -70.1 -39.8 34.5 112.0 47.5 48 365 A E H >4 S+ 0 0 85 1,-0.2 3,-2.9 2,-0.2 6,-0.3 0.958 104.4 57.7 -57.8 -49.9 32.9 111.0 44.2 49 366 A L H 3< S+ 0 0 46 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.727 99.3 60.1 -57.0 -22.6 35.7 108.6 43.6 50 367 A K T << S+ 0 0 162 -4,-0.7 2,-0.3 -3,-0.6 -1,-0.3 0.619 86.1 98.2 -72.9 -20.6 34.8 106.9 46.9 51 368 A N S <> S- 0 0 77 -3,-2.9 4,-2.0 -4,-0.5 3,-0.2 -0.627 70.1-145.2 -76.7 133.4 31.3 106.2 45.5 52 369 A E H > S+ 0 0 159 -2,-0.3 4,-2.2 1,-0.2 -1,-0.1 0.792 96.2 52.9 -77.6 -33.2 30.9 102.6 44.2 53 370 A A H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.870 110.9 50.5 -65.2 -38.1 28.6 103.3 41.2 54 371 A T H > S+ 0 0 32 -6,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.877 108.7 50.9 -68.3 -40.0 31.2 105.9 40.0 55 372 A Q H X S+ 0 0 55 -4,-2.0 4,-2.8 -7,-0.2 5,-0.2 0.947 109.2 50.9 -60.9 -45.8 34.0 103.5 40.3 56 373 A K H X S+ 0 0 165 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.924 113.1 45.9 -57.5 -44.7 32.1 100.9 38.3 57 374 A F H X S+ 0 0 115 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.935 114.3 46.6 -65.0 -52.0 31.4 103.5 35.5 58 375 A Y H X S+ 0 0 26 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.825 111.4 52.3 -63.3 -30.1 35.0 104.8 35.5 59 376 A R H X S+ 0 0 115 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.885 111.4 46.4 -68.4 -39.0 36.5 101.3 35.4 60 377 A D H X S+ 0 0 78 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.905 111.2 52.7 -73.8 -39.4 34.2 100.4 32.4 61 378 A L H X S+ 0 0 44 -4,-2.6 4,-3.2 2,-0.2 -2,-0.2 0.899 108.8 49.9 -58.2 -44.0 35.2 103.7 30.7 62 379 A A H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.938 111.0 49.0 -61.2 -45.5 38.9 102.9 31.1 63 380 A A H X S+ 0 0 18 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.970 115.9 43.1 -57.1 -54.4 38.5 99.4 29.7 64 381 A K H X S+ 0 0 87 -4,-2.8 4,-2.5 1,-0.2 5,-0.4 0.916 108.3 58.8 -59.3 -45.0 36.5 100.8 26.7 65 382 A E H X S+ 0 0 47 -4,-3.2 4,-3.7 2,-0.2 -1,-0.2 0.912 110.0 44.3 -50.3 -44.3 39.0 103.7 26.2 66 383 A I H < S+ 0 0 0 -4,-2.1 5,-0.4 1,-0.2 -64,-0.3 0.935 115.1 47.0 -72.7 -43.4 41.8 101.1 25.8 67 384 A E H < S+ 0 0 50 -4,-2.5 -1,-0.2 -5,-0.2 -65,-0.2 0.825 127.6 28.0 -55.5 -36.2 39.8 98.8 23.5 68 385 A N H < S+ 0 0 128 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.840 106.6 75.0-107.0 -41.8 38.7 101.8 21.4 69 386 A G S < S- 0 0 17 -4,-3.7 2,-0.5 -5,-0.4 -67,-0.1 0.048 85.6-117.3 -51.0 175.1 41.4 104.4 21.7 70 387 A G + 0 0 27 -68,-0.1 2,-0.4 2,-0.1 -68,-0.2 -0.789 52.2 165.9-119.5 79.8 44.6 103.9 19.8 71 388 A Y - 0 0 11 -2,-0.5 -68,-2.7 -5,-0.4 2,-0.6 -0.818 34.5-151.7 -98.6 140.5 47.0 103.6 22.7 72 389 A K E -bC 3 273A 90 201,-2.0 201,-2.6 -2,-0.4 2,-0.6 -0.971 18.4-162.4 -97.6 123.0 50.5 102.3 22.8 73 390 A I E -bC 4 272A 0 -70,-3.2 -68,-3.4 -2,-0.6 2,-0.6 -0.921 1.4-158.2-110.6 116.4 51.1 100.9 26.3 74 391 A T E -bC 5 271A 23 197,-3.3 196,-2.5 -2,-0.6 197,-1.6 -0.881 10.7-165.2 -97.9 119.5 54.8 100.5 27.2 75 392 A T E - C 0 269A 0 -70,-2.3 194,-0.3 -2,-0.6 -66,-0.1 -0.521 29.1-125.0 -96.9 171.2 55.6 98.0 30.0 76 393 A T + 0 0 11 192,-2.1 193,-0.1 -2,-0.2 -70,-0.1 0.386 69.5 126.4 -85.3 -5.1 58.8 97.5 32.1 77 394 A I - 0 0 0 191,-0.4 -70,-2.9 -72,-0.3 2,-0.6 -0.333 55.3-144.0 -71.5 139.8 58.8 93.8 31.1 78 395 A D > - 0 0 39 40,-2.9 4,-2.5 -72,-0.2 5,-0.4 -0.905 10.9-148.8-103.3 117.5 62.0 92.4 29.6 79 396 A Q H > S+ 0 0 61 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.913 93.0 44.9 -59.0 -45.0 60.9 89.8 27.0 80 397 A K H > S+ 0 0 133 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.863 116.6 46.1 -67.1 -39.7 63.8 87.4 27.4 81 398 A I H > S+ 0 0 0 2,-0.2 4,-1.9 3,-0.1 -2,-0.2 0.982 115.0 43.7 -68.2 -52.4 63.8 87.5 31.1 82 399 A H H X S+ 0 0 8 -4,-2.5 4,-2.5 36,-0.5 -2,-0.2 0.908 114.5 52.3 -64.0 -43.9 60.0 87.1 31.7 83 400 A S H X S+ 0 0 63 -4,-2.2 4,-2.0 -5,-0.4 -1,-0.3 0.885 108.1 49.4 -51.7 -50.2 60.0 84.4 29.0 84 401 A A H X S+ 0 0 19 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.788 109.8 53.6 -62.9 -28.0 62.9 82.5 30.8 85 402 A M H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.896 106.1 51.8 -75.1 -38.3 60.9 82.8 34.0 86 403 A Q H X S+ 0 0 43 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.932 112.8 45.3 -57.2 -47.8 57.8 81.3 32.4 87 404 A S H X S+ 0 0 66 -4,-2.0 4,-3.4 2,-0.2 5,-0.3 0.904 110.1 55.7 -66.0 -41.0 60.0 78.4 31.2 88 405 A A H X S+ 0 0 3 -4,-2.2 4,-2.8 2,-0.2 5,-0.4 0.936 109.8 44.7 -57.0 -47.1 61.6 78.1 34.6 89 406 A V H X S+ 0 0 8 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.925 114.7 49.0 -67.3 -38.2 58.3 77.7 36.3 90 407 A A H < S+ 0 0 74 -4,-2.4 4,-0.3 -5,-0.2 -2,-0.2 0.931 119.5 37.8 -62.4 -43.6 57.2 75.2 33.7 91 408 A D H < S+ 0 0 95 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.814 133.3 22.1 -77.9 -31.6 60.4 73.1 33.9 92 409 A Y H >< S+ 0 0 79 -4,-2.8 3,-2.2 -5,-0.3 4,-0.2 0.435 87.5 100.8-122.4 -7.4 61.0 73.4 37.7 93 410 A G G >< S+ 0 0 1 -4,-2.1 3,-2.7 -5,-0.4 4,-0.4 0.896 76.6 68.4 -42.3 -41.2 57.6 74.1 39.2 94 411 A Y G > S+ 0 0 123 -4,-0.3 3,-0.8 1,-0.3 -1,-0.3 0.717 82.0 74.7 -60.8 -19.3 57.3 70.4 40.1 95 412 A L G < S+ 0 0 16 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.704 91.6 57.6 -61.6 -16.1 60.2 70.9 42.6 96 413 A L G < S+ 0 0 0 -3,-2.7 -1,-0.2 -4,-0.2 -2,-0.2 0.724 81.4 99.7 -91.0 -27.3 57.6 72.7 44.9 97 414 A D < + 0 0 60 -3,-0.8 2,-0.2 -4,-0.4 5,-0.1 -0.391 43.3 155.1 -63.7 136.2 55.1 69.8 45.1 98 415 A D B > -E 101 0B 40 3,-0.6 3,-0.6 -2,-0.1 -1,-0.1 -0.498 65.1 -50.7-137.6-148.0 55.4 67.9 48.4 99 416 A G T 3 S+ 0 0 79 1,-0.2 3,-0.1 -2,-0.2 -2,-0.1 0.620 117.9 74.4 -66.2 -6.6 52.8 65.8 50.2 100 417 A T T 3 S- 0 0 36 1,-0.3 -1,-0.2 265,-0.0 2,-0.2 0.149 99.9 -90.3-114.6 18.9 50.2 68.5 50.2 101 418 A G B < S-E 98 0B 48 -3,-0.6 -3,-0.6 2,-0.1 -1,-0.3 -0.574 80.4 -20.5 96.9-176.1 48.5 69.0 46.8 102 419 A R - 0 0 114 -2,-0.2 2,-0.5 -5,-0.1 -8,-0.0 -0.547 65.9-140.9 -70.4 128.1 49.7 71.3 44.0 103 420 A V - 0 0 0 -2,-0.3 258,-0.2 -10,-0.1 2,-0.1 -0.794 14.3-148.1 -94.6 120.5 51.8 74.1 45.5 104 421 A E E -F 360 0C 6 256,-2.5 256,-1.2 -2,-0.5 2,-0.3 -0.424 15.2-162.5 -86.8 169.3 51.2 77.5 43.9 105 422 A V E -F 359 0C 0 254,-0.2 28,-0.3 -2,-0.1 2,-0.3 -0.996 15.5-167.7-156.5 145.6 53.9 80.1 43.5 106 423 A G E +F 358 0C 0 252,-1.9 252,-2.3 -2,-0.3 2,-0.3 -0.997 11.7 175.1-142.0 135.2 54.4 83.8 42.9 107 424 A N E -FG 357 121C 0 14,-1.8 14,-1.8 -2,-0.3 2,-0.4 -0.990 10.0-168.4-140.5 148.2 57.7 85.7 42.0 108 425 A V E -FG 356 120C 0 248,-1.4 248,-2.3 -2,-0.3 2,-0.6 -0.992 8.1-157.5-143.0 123.3 58.5 89.3 41.1 109 426 A L E -FG 355 119C 0 10,-2.9 9,-2.4 -2,-0.4 10,-1.0 -0.952 22.1-176.1-106.7 118.7 61.9 90.4 39.6 110 427 A M E -FG 354 117C 0 244,-2.9 244,-2.3 -2,-0.6 2,-0.5 -0.923 30.1-122.5-122.2 141.0 62.4 94.1 40.3 111 428 A D E >> -F 353 0C 40 5,-2.8 4,-2.9 -2,-0.4 3,-0.9 -0.711 21.2-149.8 -78.6 120.5 65.1 96.6 39.3 112 429 A N T 34 S+ 0 0 0 240,-2.8 -1,-0.1 -2,-0.5 241,-0.1 0.749 93.4 50.2 -68.9 -26.8 66.5 98.0 42.6 113 430 A Q T 34 S+ 0 0 128 239,-0.5 -1,-0.3 1,-0.1 240,-0.1 0.663 127.4 17.8 -83.5 -14.4 67.3 101.4 41.0 114 431 A T T <4 S- 0 0 59 -3,-0.9 -2,-0.2 2,-0.2 3,-0.1 0.622 87.2-125.2-131.6 -21.3 64.0 102.0 39.3 115 432 A G < + 0 0 0 -4,-2.9 152,-1.2 1,-0.3 -3,-0.1 0.479 60.7 147.1 82.3 1.6 61.3 99.8 40.9 116 433 A A B -j 267 0D 11 -5,-0.2 -5,-2.8 150,-0.2 2,-0.5 -0.433 48.6-129.0 -67.8 147.6 60.5 98.6 37.4 117 434 A I E -G 110 0C 0 150,-1.8 -7,-0.2 -7,-0.2 -41,-0.1 -0.866 22.1-175.6-102.7 127.0 59.4 95.0 37.1 118 435 A L E - 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0 0 33 14,-0.4 8,-2.4 8,-0.3 2,-0.3 -0.959 29.0-127.8-154.6 156.6 58.3 85.4 77.7 172 489 A N B -N 178 0G 85 -2,-0.3 2,-0.1 6,-0.3 5,-0.1 -0.731 18.8-116.1-106.6 153.4 54.5 85.4 77.3 173 490 A F > - 0 0 41 4,-2.9 3,-2.2 -2,-0.3 -1,-0.1 -0.331 48.9 -92.6 -67.3 171.3 52.1 87.5 75.2 174 491 A A T 3 S+ 0 0 89 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.723 127.1 63.8 -67.4 -25.3 49.7 89.6 77.2 175 492 A N T 3 S- 0 0 109 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.508 119.5-109.6 -73.4 0.6 47.1 86.7 77.1 176 493 A G S < S+ 0 0 44 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.209 77.0 132.0 90.0 -14.0 49.6 84.6 79.1 177 494 A N - 0 0 97 1,-0.1 -4,-2.9 -5,-0.1 -1,-0.3 -0.492 63.7-107.3 -67.3 138.3 50.5 82.3 76.2 178 495 A P B -N 172 0G 48 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.429 26.5-118.2 -63.0 132.8 54.2 81.7 75.6 179 496 A I - 0 0 1 -8,-2.4 -8,-0.3 -2,-0.2 2,-0.3 -0.620 44.7-161.6 -68.3 123.0 55.7 83.3 72.6 180 497 A M - 0 0 71 -2,-0.5 2,-0.3 -10,-0.1 5,-0.2 -0.730 27.2-169.2-110.2 154.6 56.9 80.3 70.5 181 498 A Y B > S-O 184 0H 62 3,-1.9 3,-2.6 -2,-0.3 5,-0.2 -0.923 75.7 -43.1-139.3 118.9 59.3 79.6 67.7 182 499 A A T 3 S- 0 0 80 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 -0.474 123.1 -34.3 57.1-123.9 59.0 76.2 66.1 183 500 A N T 3 S+ 0 0 155 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.198 115.6 106.5-111.8 27.0 58.6 74.2 69.2 184 501 A S B < -O 181 0H 37 -3,-2.6 -3,-1.9 1,-0.1 3,-0.1 -0.831 55.0-156.3-112.5 131.4 60.9 76.2 71.5 185 502 A K - 0 0 129 -2,-0.4 -14,-0.4 1,-0.3 2,-0.2 0.384 67.6 -78.8 -72.5 -4.0 59.8 78.6 74.3 186 503 A G - 0 0 16 -5,-0.2 -1,-0.3 -16,-0.1 -17,-0.3 -0.760 33.3-136.9 131.9 174.3 63.1 80.5 74.0 187 504 A T - 0 0 76 -19,-2.9 2,-0.2 1,-0.3 3,-0.1 0.005 45.2 -84.6-133.7 -97.8 66.8 80.3 74.9 188 505 A G S S- 0 0 13 1,-0.3 -20,-1.5 -19,-0.2 -1,-0.3 -0.616 70.3 -14.4-153.9-148.7 68.7 83.4 76.2 189 506 A M E +L 167 0F 41 -22,-0.2 -1,-0.3 -2,-0.2 2,-0.3 -0.212 62.7 172.0 -65.8 160.4 70.6 86.5 75.1 190 507 A M E -L 166 0F 5 -24,-1.2 -24,-3.4 -3,-0.1 2,-0.1 -0.982 33.1-103.8-170.6 143.3 71.7 86.5 71.5 191 508 A T E > -L 165 0F 34 -2,-0.3 4,-2.6 -26,-0.2 -26,-0.2 -0.450 37.7-109.8 -73.1 160.5 73.2 88.9 68.9 192 509 A L H > S+ 0 0 0 -28,-1.8 4,-2.6 1,-0.2 5,-0.2 0.862 120.5 57.4 -53.8 -35.0 71.0 90.5 66.2 193 510 A G H > S+ 0 0 13 -31,-0.4 4,-3.2 2,-0.2 -1,-0.2 0.913 108.1 43.8 -66.3 -44.1 72.8 88.3 63.7 194 511 A E H > S+ 0 0 83 2,-0.2 4,-2.1 1,-0.2 6,-0.4 0.921 112.4 53.6 -65.7 -41.2 71.8 85.1 65.5 195 512 A A H X>S+ 0 0 1 -4,-2.6 5,-1.2 1,-0.2 4,-0.9 0.942 116.5 38.9 -57.2 -46.5 68.3 86.4 65.9 196 513 A L H <5S+ 0 0 1 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.889 114.0 52.0 -72.2 -42.7 68.1 87.1 62.2 197 514 A N H <5S+ 0 0 20 -4,-3.2 115,-0.3 1,-0.2 -1,-0.2 0.840 121.1 34.0 -63.6 -33.5 69.9 83.9 61.0 198 515 A Y H <5S- 0 0 91 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.535 102.6-131.5 -99.4 -12.6 67.7 81.7 63.0 199 516 A S T <5 - 0 0 4 -4,-0.9 -3,-0.2 -5,-0.3 -4,-0.1 0.747 35.1-176.2 65.6 30.2 64.5 83.8 62.7 200 517 A W < - 0 0 26 -5,-1.2 4,-0.3 -6,-0.4 -1,-0.1 -0.095 18.9-148.6 -55.4 154.8 63.7 83.7 66.4 201 518 A N S > S+ 0 0 25 2,-0.1 4,-2.1 3,-0.1 3,-0.4 0.805 84.1 63.3 -97.9 -42.6 60.4 85.5 67.4 202 519 A I H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.924 99.7 53.8 -52.2 -48.2 61.1 86.8 70.9 203 520 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.871 110.4 47.7 -51.6 -39.0 63.9 89.3 69.8 204 521 A A H > S+ 0 0 0 -3,-0.4 4,-2.8 -4,-0.3 5,-0.3 0.898 108.5 56.1 -75.7 -35.9 61.6 90.8 67.2 205 522 A Y H X S+ 0 0 13 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.942 110.8 42.2 -62.4 -48.4 58.8 91.0 69.8 206 523 A W H X S+ 0 0 33 -4,-2.7 4,-2.7 -39,-0.2 5,-0.2 0.909 111.9 57.3 -65.3 -35.3 61.0 93.1 72.2 207 524 A T H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.978 110.4 41.0 -60.0 -52.6 62.3 95.1 69.3 208 525 A Y H X S+ 0 0 8 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.948 113.0 56.0 -58.6 -44.4 58.8 96.3 68.2 209 526 A R H X S+ 0 0 107 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.878 107.2 49.0 -56.4 -40.8 57.8 96.8 71.8 210 527 A M H X S+ 0 0 24 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.904 108.4 53.1 -63.2 -46.4 60.8 99.2 72.3 211 528 A L H <>S+ 0 0 0 -4,-2.2 5,-2.5 -5,-0.2 3,-0.2 0.943 110.0 49.8 -54.1 -46.9 59.9 101.1 69.1 212 529 A R H ><5S+ 0 0 136 -4,-2.9 3,-2.0 1,-0.2 -2,-0.2 0.957 110.5 48.0 -60.8 -47.9 56.4 101.5 70.6 213 530 A E H 3<5S+ 0 0 137 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.754 110.1 53.0 -65.1 -24.8 57.7 102.7 74.0 214 531 A N T 3<5S- 0 0 92 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.396 112.2-123.3 -86.4 4.8 60.0 105.2 72.2 215 532 A G T < 5 + 0 0 65 -3,-2.0 -3,-0.2 -4,-0.2 2,-0.2 0.815 45.7 178.1 62.4 29.3 56.9 106.5 70.3 216 533 A V < - 0 0 20 -5,-2.5 2,-2.3 -6,-0.2 3,-0.3 -0.436 37.2-121.1 -73.2 142.9 58.6 105.7 66.9 217 534 A D > + 0 0 110 1,-0.2 4,-1.5 -2,-0.2 3,-0.1 -0.391 47.1 160.1 -83.1 72.3 56.5 106.5 63.8 218 535 A V H > S+ 0 0 7 -2,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.876 70.9 58.6 -66.4 -35.1 56.6 102.9 62.5 219 536 A K H > S+ 0 0 100 -3,-0.3 4,-3.3 1,-0.2 5,-0.3 0.928 100.4 56.0 -59.6 -46.2 53.6 103.5 60.3 220 537 A G H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.929 108.3 48.3 -50.8 -51.5 55.4 106.4 58.5 221 538 A Y H < S+ 0 0 24 -4,-1.5 4,-0.3 2,-0.2 -2,-0.2 0.967 115.3 42.8 -52.3 -54.2 58.2 104.0 57.6 222 539 A M H ><>S+ 0 0 4 -4,-2.3 5,-1.8 1,-0.2 3,-1.7 0.900 112.6 52.7 -69.2 -38.7 55.9 101.3 56.3 223 540 A E H ><5S+ 0 0 98 -4,-3.3 3,-2.4 1,-0.3 -1,-0.2 0.910 99.1 62.2 -66.3 -38.5 53.6 103.7 54.4 224 541 A K T 3<5S+ 0 0 105 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.589 104.3 52.5 -60.2 -11.3 56.5 105.3 52.5 225 542 A M T < 5S- 0 0 0 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.394 123.8-103.3-102.0 8.8 57.0 101.8 51.1 226 543 A G T < 5S+ 0 0 31 -3,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.406 71.3 148.5 84.4 1.5 53.4 101.3 49.9 227 544 A Y < - 0 0 6 -5,-1.8 2,-0.7 -8,-0.1 -1,-0.3 -0.516 33.1-160.2 -74.1 132.3 52.5 99.0 52.8 228 545 A E + 0 0 160 -2,-0.3 16,-0.3 16,-0.2 -1,-0.0 -0.901 18.7 165.8-113.6 102.1 48.9 99.1 54.1 229 546 A I - 0 0 8 -2,-0.7 3,-0.1 1,-0.1 14,-0.1 -0.988 21.5-159.6-117.6 119.3 48.6 97.6 57.6 230 547 A P S S+ 0 0 121 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.783 76.0 33.9 -78.2 -28.0 45.3 98.4 59.2 231 548 A E + 0 0 109 11,-0.4 3,-0.1 1,-0.1 6,-0.0 -0.952 48.9 174.4-137.4 115.6 46.3 97.8 62.8 232 549 A Y + 0 0 21 -2,-0.4 2,-2.2 1,-0.2 5,-0.1 0.675 66.5 88.2 -89.2 -19.2 49.8 98.5 64.3 233 550 A G + 0 0 41 4,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.362 62.2 116.7 -81.7 66.3 48.7 97.7 67.9 234 551 A I > - 0 0 48 -2,-2.2 3,-1.7 1,-0.1 7,-0.1 -0.985 60.5-145.1-138.0 124.4 49.5 94.0 67.6 235 552 A E T 3 S+ 0 0 74 -2,-0.4 -26,-0.1 1,-0.3 -27,-0.1 0.775 101.8 43.5 -57.3 -35.0 52.1 92.2 69.7 236 553 A S T >>>S+ 0 0 40 1,-0.2 3,-2.4 2,-0.1 5,-1.8 0.332 78.0 113.3 -98.9 5.1 53.1 89.8 66.9 237 554 A L G X45S+ 0 0 0 -3,-1.7 3,-1.7 1,-0.3 -1,-0.2 0.850 74.3 54.5 -39.3 -49.6 53.1 92.5 64.1 238 555 A P G 345S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -88,-0.2 0.681 105.5 54.8 -71.1 -8.5 56.9 92.2 63.5 239 556 A M G <45S- 0 0 25 -3,-2.4 -2,-0.2 -94,-0.1 -95,-0.1 0.409 132.6 -88.9-100.1 -5.4 56.5 88.4 63.0 240 557 A G T X<5S+ 0 0 2 -3,-1.7 3,-1.1 -4,-0.5 -98,-0.4 0.464 80.1 142.9 117.3 4.6 53.9 88.9 60.3 241 558 A G T 3 - 0 0 16 -2,-0.3 4,-2.2 -108,-0.2 5,-0.3 -0.453 34.1-116.9 -73.7 155.7 51.2 90.7 47.5 247 564 A V H > S+ 0 0 2 -114,-0.5 4,-2.7 -110,-0.4 5,-0.2 0.927 117.1 56.5 -59.7 -37.0 54.6 89.4 46.2 248 565 A A H > S+ 0 0 1 -114,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.954 110.7 40.8 -59.0 -50.8 54.8 92.6 44.1 249 566 A Q H > S+ 0 0 19 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.867 116.8 48.3 -65.1 -38.5 54.4 95.0 47.1 250 567 A H H X S+ 0 0 1 -4,-2.2 4,-1.8 1,-0.2 3,-0.4 0.859 103.4 59.6 -77.3 -35.4 56.7 93.0 49.4 251 568 A T H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.826 101.9 58.3 -55.5 -28.7 59.4 92.7 46.8 252 569 A N H X S+ 0 0 0 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.837 100.2 55.1 -73.4 -30.9 59.3 96.6 46.9 253 570 A G H X S+ 0 0 0 -4,-0.9 4,-1.7 -3,-0.4 3,-0.3 0.972 111.2 44.2 -63.2 -49.4 60.1 96.5 50.6 254 571 A Y H X S+ 0 0 3 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.858 106.9 60.0 -64.0 -30.6 63.2 94.5 49.9 255 572 A Q H X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 -1,-0.2 0.909 102.5 54.8 -63.9 -38.2 64.0 96.7 47.0 256 573 A T H <>S+ 0 0 0 -4,-1.7 5,-2.3 -3,-0.3 6,-0.4 0.952 109.4 44.9 -62.6 -48.4 64.2 99.6 49.4 257 574 A L H ><5S+ 0 0 1 -4,-1.7 3,-0.6 1,-0.2 4,-0.3 0.954 116.8 45.7 -56.6 -53.6 66.7 97.8 51.7 258 575 A A H 3<5S+ 0 0 3 -4,-2.8 2,-1.7 1,-0.2 -2,-0.2 0.889 103.5 63.2 -55.9 -44.1 68.9 96.7 48.7 259 576 A N T ><5S- 0 0 28 -4,-3.1 3,-1.5 -5,-0.2 -1,-0.2 -0.123 128.7 -93.7 -77.1 36.0 68.8 100.2 47.0 260 577 A N T < 5S- 0 0 66 -2,-1.7 36,-0.2 -3,-0.6 -3,-0.2 0.789 82.4 -49.0 50.2 40.4 70.6 101.5 50.0 261 578 A G T 3 - 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0 0 8 -290,-0.1 2,-0.2 -288,-0.1 -1,-0.1 0.124 43.2-109.3 116.1 142.3 80.4 64.5 83.0 936 775 B S > - 0 0 48 1,-0.1 4,-2.3 -2,-0.0 5,-0.2 -0.540 39.0-100.9 -91.0 168.8 81.8 65.9 86.3 937 776 B D H > S+ 0 0 104 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.961 125.8 52.1 -46.9 -56.8 79.9 66.3 89.6 938 777 B A H > S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.920 108.3 50.6 -47.0 -47.8 79.7 70.0 88.8 939 778 B D H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.883 110.9 48.4 -61.7 -42.3 78.2 69.3 85.3 940 779 B Y H X S+ 0 0 2 -4,-2.3 4,-2.8 -3,-0.3 5,-0.3 0.906 108.5 53.6 -69.6 -39.4 75.6 67.0 86.8 941 780 B Q H X S+ 0 0 103 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.955 112.0 46.2 -51.4 -53.3 74.6 69.5 89.4 942 781 B N H X S+ 0 0 92 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.864 114.4 45.8 -64.2 -37.7 74.1 72.0 86.7 943 782 B A H X S+ 0 0 9 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.832 114.7 47.2 -73.7 -36.0 72.1 69.7 84.4 944 783 B W H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.880 106.8 57.4 -72.8 -38.1 69.9 68.4 87.3 945 784 B S H X S+ 0 0 84 -4,-2.5 4,-1.2 -5,-0.3 -2,-0.2 0.980 110.4 45.4 -50.8 -52.3 69.3 71.9 88.5 946 785 B S H < S+ 0 0 87 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.858 109.8 55.0 -62.0 -37.1 67.9 72.6 85.0 947 786 B I H < S+ 0 0 17 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.925 101.0 56.3 -67.6 -42.3 65.9 69.4 84.9 948 787 B V H < S+ 0 0 63 -4,-2.5 2,-2.4 1,-0.2 -1,-0.2 0.819 88.5 78.5 -65.4 -26.7 63.9 70.1 88.2 949 788 B G S < S+ 0 0 63 -4,-1.2 -1,-0.2 -5,-0.2 -4,-0.0 -0.450 94.3 52.1 -72.9 66.0 62.7 73.4 86.8 950 789 B S 0 0 84 -2,-2.4 -40,-0.2 -39,-0.0 -3,-0.0 -0.826 360.0 360.0-152.8 -43.6 60.0 71.5 84.7 951 790 B L 0 0 97 -42,-0.1 -2,-0.2 0, 0.0 -3,-0.1 0.556 360.0 360.0 -70.1 360.0 58.5 69.8 86.2