==== 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 2Y2G . 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. . 932 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 622 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 15.2 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 . 7 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 . 2 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 . 59 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 269 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 2.9 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 4 0 2 4 2 0 0 1 5 0 2 0 4 2 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 0 PARALLEL BRIDGES PER LADDER . 6 4 4 4 2 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 1 107 A E 0 0 73 0, 0.0 67,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 164.9 26.0 73.2 10.6 2 108 A I E -Ab 11 68A 0 9,-2.6 8,-2.6 65,-0.2 9,-1.5 -0.866 360.0-166.3-100.3 137.5 25.0 75.4 7.6 3 109 A T E -Ab 9 69A 2 65,-2.6 67,-1.8 -2,-0.4 69,-0.3 -0.880 21.7-111.7-124.6 155.3 25.0 79.2 8.1 4 110 A Y > - 0 0 19 4,-3.3 3,-2.6 -2,-0.3 69,-0.2 -0.294 52.8 -89.2 -67.5 168.2 23.7 82.3 6.3 5 111 A S T 3 S+ 0 0 62 67,-2.9 68,-0.1 1,-0.3 -1,-0.1 0.797 129.7 54.1 -52.8 -30.1 26.2 84.7 4.8 6 112 A D T 3 S- 0 0 109 66,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.359 122.5-102.8 -90.2 2.0 26.5 86.5 8.1 7 113 A G S < S+ 0 0 41 -3,-2.6 -2,-0.1 1,-0.3 3,-0.1 0.178 74.1 141.9 99.2 -17.9 27.3 83.4 10.1 8 114 A T - 0 0 57 1,-0.1 -4,-3.3 -5,-0.1 2,-0.4 -0.331 60.2-104.8 -53.4 135.3 23.8 83.0 11.6 9 115 A V E -A 3 0A 71 -6,-0.2 -6,-0.3 1,-0.2 3,-0.1 -0.517 33.1-177.0 -77.5 120.8 22.9 79.3 11.8 10 116 A I E - 0 0 33 -8,-2.6 2,-0.3 -2,-0.4 -7,-0.2 0.926 69.0 -40.5 -71.4 -53.1 20.4 78.0 9.2 11 117 A A E -A 2 0A 28 -9,-1.5 -9,-2.6 7,-0.1 -1,-0.3 -0.976 51.9-118.0-165.2 160.9 20.4 74.5 10.7 12 118 A S 0 0 95 -2,-0.3 50,-0.1 -11,-0.2 -9,-0.0 -0.627 360.0 360.0 -98.7 171.6 22.6 71.7 12.2 13 119 A I 0 0 65 -2,-0.2 49,-0.2 48,-0.2 -1,-0.1 0.581 360.0 360.0-131.1 360.0 23.1 68.2 10.7 14 ! 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 15 337 A D > 0 0 101 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -33.3 13.1 73.2 3.6 16 338 A Y H > + 0 0 10 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.888 360.0 55.3 -51.1 -45.1 14.3 73.8 0.0 17 339 A L H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 5,-0.4 0.920 107.8 47.8 -60.3 -43.3 17.1 75.9 1.6 18 340 A Y H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.974 117.8 38.9 -62.0 -53.1 18.2 73.0 3.8 19 341 A F H X S+ 0 0 91 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.831 116.9 51.3 -73.0 -29.7 18.3 70.4 1.0 20 342 A T H X S+ 0 0 8 -4,-2.9 4,-2.4 -5,-0.3 -1,-0.2 0.938 115.0 39.4 -70.1 -53.0 19.7 72.8 -1.5 21 343 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.915 117.5 52.4 -68.2 -35.5 22.6 74.0 0.5 22 344 A L H X S+ 0 0 20 -4,-2.5 4,-2.5 -5,-0.4 -2,-0.2 0.949 110.2 47.5 -61.2 -48.0 23.1 70.5 1.8 23 345 A A H X S+ 0 0 43 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.921 113.5 46.5 -64.2 -43.7 23.2 69.0 -1.7 24 346 A E H X S+ 0 0 53 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.900 111.6 52.6 -61.4 -42.9 25.7 71.6 -3.0 25 347 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.903 107.3 52.7 -60.2 -42.5 27.9 71.1 0.1 26 348 A Q H X S+ 0 0 55 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.903 104.8 53.6 -61.0 -42.2 27.9 67.4 -0.5 27 349 A E H X S+ 0 0 114 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.889 112.4 46.9 -57.1 -39.1 29.1 67.9 -4.1 28 350 A R H X S+ 0 0 76 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.937 111.5 48.6 -68.4 -46.2 31.9 69.9 -2.7 29 351 A M H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 5,-0.3 0.909 108.2 56.8 -62.3 -39.6 32.8 67.4 0.0 30 352 A Y H X S+ 0 0 35 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.935 109.2 44.6 -53.6 -53.3 32.8 64.6 -2.6 31 353 A D H X S+ 0 0 84 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.916 115.5 48.5 -58.4 -45.4 35.4 66.5 -4.6 32 354 A Y H X S+ 0 0 55 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.940 112.3 47.0 -63.2 -45.5 37.4 67.2 -1.5 33 355 A L H X S+ 0 0 0 -4,-3.4 4,-2.7 2,-0.2 -1,-0.2 0.850 109.5 53.5 -65.7 -38.0 37.3 63.6 -0.2 34 356 A A H <>S+ 0 0 3 -4,-2.1 5,-3.0 -5,-0.3 -1,-0.2 0.928 113.7 42.1 -66.7 -45.7 38.2 62.0 -3.5 35 357 A Q H ><5S+ 0 0 151 -4,-1.8 3,-1.4 3,-0.2 -2,-0.2 0.899 112.6 53.8 -65.3 -41.4 41.3 64.2 -3.8 36 358 A R H 3<5S+ 0 0 112 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.954 111.3 46.3 -57.8 -46.8 42.2 63.7 -0.1 37 359 A D T 3<5S- 0 0 59 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.448 114.7-120.0 -76.5 1.3 42.0 59.9 -0.6 38 360 A N T < 5 + 0 0 139 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.901 47.0 174.1 60.6 39.0 44.1 60.2 -3.8 39 361 A V < - 0 0 25 -5,-3.0 -1,-0.2 -6,-0.1 2,-0.1 -0.687 26.9-128.0 -76.3 128.4 41.4 58.7 -6.0 40 362 A S > - 0 0 46 -2,-0.4 4,-1.9 1,-0.1 5,-0.1 -0.333 16.7-115.0 -72.0 159.3 42.4 58.8 -9.7 41 363 A A T 4 S+ 0 0 78 2,-0.2 4,-0.2 1,-0.2 -1,-0.1 0.867 120.4 50.7 -59.2 -36.6 40.2 60.3 -12.4 42 364 A K T >> S+ 0 0 158 1,-0.2 3,-2.5 2,-0.2 4,-0.9 0.982 109.9 47.3 -65.3 -55.9 40.0 56.7 -13.9 43 365 A E T 34 S+ 0 0 105 1,-0.3 3,-0.4 2,-0.2 6,-0.2 0.810 107.7 58.8 -52.9 -31.3 39.1 55.2 -10.5 44 366 A L T 3< S+ 0 0 39 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.489 93.4 65.9 -82.6 -4.0 36.5 57.9 -10.2 45 367 A K T <4 S+ 0 0 128 -3,-2.5 -1,-0.2 -4,-0.2 -2,-0.2 0.832 78.8 100.8 -80.9 -32.3 34.8 56.9 -13.4 46 368 A N S X S- 0 0 89 -4,-0.9 4,-1.9 -3,-0.4 3,-0.2 -0.243 72.9-140.7 -56.3 129.2 33.8 53.6 -11.8 47 369 A E H > S+ 0 0 162 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.857 98.0 51.6 -67.8 -36.5 30.2 53.7 -10.7 48 370 A A H > S+ 0 0 70 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.838 109.7 50.8 -71.2 -31.5 30.6 51.9 -7.3 49 371 A T H > S+ 0 0 41 -3,-0.2 4,-2.5 -6,-0.2 5,-0.2 0.885 108.3 52.2 -70.9 -39.0 33.4 54.2 -6.3 50 372 A Q H X S+ 0 0 64 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.926 109.8 48.7 -61.1 -47.5 31.3 57.3 -7.1 51 373 A K H X S+ 0 0 141 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.883 110.2 51.6 -61.1 -38.4 28.5 56.0 -5.0 52 374 A F H X S+ 0 0 113 -4,-1.6 4,-3.3 1,-0.2 -2,-0.2 0.959 113.0 44.2 -66.3 -46.1 30.8 55.3 -2.1 53 375 A Y H X S+ 0 0 20 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.831 112.4 53.3 -67.4 -28.4 32.3 58.8 -2.2 54 376 A R H X S+ 0 0 132 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.954 113.4 42.1 -69.7 -48.9 28.8 60.2 -2.6 55 377 A D H X S+ 0 0 91 -4,-3.0 4,-2.3 1,-0.2 5,-0.3 0.944 114.1 53.8 -61.0 -42.7 27.6 58.4 0.5 56 378 A L H X S+ 0 0 38 -4,-3.3 4,-1.8 -5,-0.2 -2,-0.2 0.892 106.0 51.7 -58.7 -43.2 30.9 59.3 2.3 57 379 A A H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.923 110.3 50.0 -62.1 -42.3 30.5 63.0 1.6 58 380 A A H X S+ 0 0 20 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.898 112.7 43.7 -61.0 -49.1 26.9 62.9 3.1 59 381 A K H X>S+ 0 0 88 -4,-2.3 4,-3.5 2,-0.2 5,-0.6 0.801 106.4 63.5 -68.3 -29.4 27.9 61.1 6.3 60 382 A E H X5S+ 0 0 52 -4,-1.8 4,-2.6 -5,-0.3 6,-0.3 0.944 110.4 37.7 -62.4 -52.4 31.0 63.4 6.7 61 383 A I H <5S+ 0 0 8 -4,-1.7 5,-0.3 2,-0.2 -2,-0.2 0.984 116.8 52.9 -52.2 -64.1 28.8 66.4 7.0 62 384 A E H <5S+ 0 0 91 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.860 127.2 20.6 -40.1 -52.7 26.1 64.5 9.0 63 385 A N H <5S+ 0 0 126 -4,-3.5 -1,-0.2 -5,-0.1 -3,-0.2 0.820 112.1 82.0 -91.8 -36.3 28.7 63.2 11.6 64 386 A G S < - 0 0 37 40,-2.7 4,-3.3 -69,-0.2 5,-0.2 -0.886 10.7-151.2 -99.4 119.0 20.9 86.4 3.0 74 396 A Q H > S+ 0 0 71 -2,-0.6 4,-2.6 1,-0.3 5,-0.3 0.876 90.9 46.0 -66.7 -49.6 18.5 85.4 5.8 75 397 A K H > S+ 0 0 154 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.914 117.5 46.3 -56.4 -42.5 16.2 88.3 5.9 76 398 A I H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.959 113.9 45.8 -70.3 -49.0 15.9 88.3 2.1 77 399 A H H X S+ 0 0 7 -4,-3.3 4,-2.2 36,-0.4 5,-0.2 0.937 113.6 49.3 -57.2 -49.6 15.4 84.5 1.7 78 400 A S H X S+ 0 0 53 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.888 111.2 50.7 -55.9 -40.6 12.8 84.4 4.6 79 401 A A H X S+ 0 0 19 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.2 0.831 107.7 53.0 -70.5 -32.2 11.0 87.3 3.0 80 402 A M H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.906 108.8 49.5 -67.4 -35.8 11.0 85.5 -0.4 81 403 A Q H X S+ 0 0 54 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.884 109.9 50.6 -69.5 -41.6 9.4 82.5 1.2 82 404 A S H X S+ 0 0 67 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.854 109.2 52.6 -62.8 -39.1 6.7 84.6 2.9 83 405 A A H X S+ 0 0 3 -4,-1.7 4,-3.2 2,-0.2 5,-0.4 0.904 111.8 43.7 -61.3 -45.3 6.0 86.2 -0.5 84 406 A V H X S+ 0 0 6 -4,-2.0 4,-1.9 3,-0.2 5,-0.2 0.912 116.4 48.0 -72.5 -37.2 5.5 82.9 -2.3 85 407 A A H < S+ 0 0 73 -4,-2.5 4,-0.3 -5,-0.2 -2,-0.2 0.946 123.0 33.8 -60.7 -50.2 3.4 81.6 0.7 86 408 A D H < S+ 0 0 100 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.852 135.2 22.8 -73.6 -36.2 1.3 84.8 0.7 87 409 A Y H >< S+ 0 0 90 -4,-3.2 3,-2.4 -5,-0.2 4,-0.2 0.506 89.4 97.3-117.7 -9.0 1.2 85.6 -3.0 88 410 A G G >< S+ 0 0 0 -4,-1.9 3,-2.6 -5,-0.4 4,-0.3 0.845 76.4 68.3 -53.2 -36.8 1.9 82.4 -4.8 89 411 A Y G > S+ 0 0 116 1,-0.3 3,-1.6 -4,-0.3 -1,-0.3 0.753 82.6 75.5 -56.7 -19.6 -1.8 81.9 -5.3 90 412 A L G < S+ 0 0 17 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.705 88.1 61.4 -66.7 -12.6 -1.7 84.9 -7.7 91 413 A L G < S+ 0 0 0 -3,-2.6 2,-0.4 -4,-0.2 -1,-0.3 0.649 74.5 106.2 -85.2 -19.9 -0.1 82.5 -10.2 92 414 A D < + 0 0 63 -3,-1.6 5,-0.1 -4,-0.3 -3,-0.0 -0.521 40.8 171.8 -74.0 119.4 -3.1 80.2 -10.4 93 415 A D - 0 0 29 3,-0.6 -1,-0.1 -2,-0.4 272,-0.1 0.159 60.4 -85.9-120.3 13.7 -4.6 80.9 -13.8 94 416 A G S S+ 0 0 79 2,-0.3 3,-0.1 269,-0.1 -2,-0.1 0.561 109.0 96.2 88.8 9.9 -7.3 78.2 -14.2 95 417 A T S S- 0 0 36 1,-0.6 2,-0.1 265,-0.0 265,-0.1 0.110 100.8 -86.7-112.6 23.6 -5.0 75.6 -15.7 96 418 A G S S- 0 0 45 2,-0.1 -1,-0.6 260,-0.0 -3,-0.6 -0.417 80.0 -19.5 99.7 177.6 -4.4 73.9 -12.4 97 419 A R - 0 0 127 -2,-0.1 2,-0.5 -5,-0.1 -8,-0.0 -0.405 68.2-140.9 -59.9 125.5 -1.8 74.6 -9.7 98 420 A V - 0 0 0 -2,-0.2 258,-0.2 -10,-0.1 2,-0.1 -0.778 10.5-147.5 -95.9 124.3 1.0 76.7 -11.1 99 421 A E E -E 355 0B 9 256,-2.4 256,-1.7 -2,-0.5 2,-0.3 -0.463 16.5-166.4 -89.5 164.6 4.6 75.9 -10.0 100 422 A V E -E 354 0B 0 254,-0.2 28,-0.4 -2,-0.1 2,-0.3 -0.999 16.0-168.8-150.8 144.8 7.3 78.5 -9.7 101 423 A G E +E 353 0B 0 252,-2.3 252,-2.5 -2,-0.3 2,-0.3 -0.997 11.2 177.3-138.7 143.2 11.1 79.1 -9.3 102 424 A N E -EF 352 116B 0 14,-2.0 14,-2.4 -2,-0.3 2,-0.4 -0.994 9.6-169.5-139.7 146.6 13.1 82.2 -8.6 103 425 A V E -EF 351 115B 0 248,-1.6 248,-2.4 -2,-0.3 2,-0.6 -0.977 8.5-157.5-139.1 124.9 16.7 83.1 -8.0 104 426 A L E -EF 350 114B 0 10,-2.9 9,-2.1 -2,-0.4 10,-1.1 -0.900 22.1-174.4-102.2 122.2 18.0 86.4 -6.7 105 427 A M E -EF 349 112B 0 244,-3.2 244,-2.7 -2,-0.6 2,-0.5 -0.925 29.4-121.8-126.9 138.7 21.7 86.9 -7.7 106 428 A D E >> -E 348 0B 43 5,-2.8 4,-2.9 -2,-0.4 3,-0.6 -0.680 21.5-150.2 -75.5 120.4 24.4 89.6 -6.9 107 429 A N T 34 S+ 0 0 0 240,-2.9 -1,-0.1 -2,-0.5 241,-0.1 0.778 92.7 49.1 -68.0 -26.6 25.4 91.0 -10.2 108 430 A Q T 34 S+ 0 0 79 239,-0.5 -1,-0.2 1,-0.1 240,-0.1 0.672 127.6 18.8 -87.9 -16.7 29.0 91.8 -9.1 109 431 A T T <4 S- 0 0 60 -3,-0.6 -2,-0.2 2,-0.1 3,-0.1 0.609 88.6-122.4-124.1 -21.4 29.7 88.4 -7.5 110 432 A G < + 0 0 0 -4,-2.9 152,-1.7 1,-0.3 2,-0.2 0.461 60.5 150.4 80.7 1.5 27.4 85.7 -8.8 111 433 A A B -i 262 0C 12 -5,-0.2 -5,-2.8 150,-0.2 2,-0.7 -0.443 46.2-132.1 -70.2 137.4 26.3 85.0 -5.2 112 434 A I E -F 105 0B 2 150,-2.4 -7,-0.2 -7,-0.2 -41,-0.2 -0.799 23.3-178.7 -94.2 116.3 22.8 83.8 -4.7 113 435 A L E - 0 0 17 -9,-2.1 -40,-2.7 -2,-0.7 -36,-0.4 0.728 64.4 -23.4 -86.2 -24.3 21.1 85.8 -1.9 114 436 A G E -F 104 0B 0 -10,-1.1 -10,-2.9 -42,-0.2 -1,-0.3 -0.971 58.6-170.0-178.2 164.0 17.8 83.9 -2.0 115 437 A F E -F 103 0B 0 -2,-0.3 2,-0.5 -12,-0.2 -12,-0.2 -0.986 23.5-125.3-164.4 165.1 15.5 81.8 -4.1 116 438 A V E -F 102 0B 0 -14,-2.4 -14,-2.0 -2,-0.3 3,-0.1 -0.990 16.5-175.4-122.7 114.8 12.1 80.2 -4.4 117 439 A G - 0 0 0 -2,-0.5 11,-3.1 1,-0.3 2,-0.3 0.662 63.3 -50.0 -81.8 -19.3 12.1 76.5 -5.0 118 440 A G - 0 0 1 9,-0.2 -1,-0.3 10,-0.1 3,-0.2 -0.968 64.2 -69.9 166.9-177.6 8.4 76.2 -5.4 119 441 A R S S- 0 0 23 -2,-0.3 2,-0.2 1,-0.2 -31,-0.1 0.854 114.3 -7.1 -69.8 -39.8 4.9 77.0 -4.0 120 442 A N >> - 0 0 54 4,-0.3 4,-2.4 1,-0.1 3,-1.7 -0.670 53.1-156.6-167.1 105.6 5.2 74.7 -1.0 121 443 A Y T 34 S+ 0 0 46 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.833 95.3 60.2 -58.7 -37.7 7.9 72.1 -0.2 122 444 A Q T 34 S+ 0 0 114 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.792 115.4 34.5 -55.3 -34.9 5.6 70.0 2.0 123 445 A E T <4 S+ 0 0 137 -3,-1.7 2,-0.4 1,-0.3 -2,-0.2 0.817 135.3 16.0 -94.8 -39.1 3.3 69.4 -1.0 124 446 A N < - 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0 0 29 14,-0.4 8,-2.7 8,-0.3 2,-0.3 -0.978 26.0-129.4-153.2 159.6 8.9 83.1 -43.5 167 489 A N B -M 173 0F 82 -2,-0.3 5,-0.1 6,-0.3 0, 0.0 -0.813 19.7-113.5-108.6 151.1 9.0 79.3 -43.1 168 490 A F > - 0 0 45 4,-3.2 3,-1.5 -2,-0.3 -1,-0.1 -0.154 49.9 -92.4 -59.1 169.6 11.3 76.9 -41.4 169 491 A A T 3 S+ 0 0 89 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.781 127.5 60.0 -60.5 -28.6 13.2 74.6 -43.7 170 492 A N T 3 S- 0 0 111 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.598 121.8-103.9 -79.4 -10.9 10.4 72.0 -43.3 171 493 A G S < S+ 0 0 44 -3,-1.5 -2,-0.1 1,-0.4 -1,-0.0 0.215 77.1 131.4 110.7 -14.5 7.8 74.4 -44.8 172 494 A N - 0 0 95 1,-0.1 -4,-3.2 -5,-0.1 -1,-0.4 -0.524 62.3-108.9 -69.4 133.1 6.0 75.5 -41.6 173 495 A P B -M 167 0F 50 0, 0.0 2,-0.7 0, 0.0 -6,-0.3 -0.309 27.0-118.6 -51.7 138.0 5.4 79.2 -41.0 174 496 A I - 0 0 2 -8,-2.7 -8,-0.3 6,-0.2 2,-0.2 -0.782 44.8-154.7 -81.3 116.2 7.5 80.7 -38.2 175 497 A M - 0 0 68 -2,-0.7 2,-0.4 21,-0.1 5,-0.2 -0.518 30.8-165.3 -99.7 156.1 4.7 81.8 -35.8 176 498 A Y B > S-N 179 0G 60 3,-2.2 3,-2.8 -2,-0.2 2,-0.3 -0.873 77.5 -59.8-134.1 102.5 4.3 84.4 -33.2 177 499 A A T 3 S- 0 0 89 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 -0.426 119.2 -24.1 50.4-113.9 1.2 83.3 -31.4 178 500 A N T 3 S+ 0 0 147 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.428 117.9 102.8-103.6 2.5 -1.3 83.4 -34.2 179 501 A S B < -N 176 0G 37 -3,-2.8 -3,-2.2 1,-0.1 3,-0.1 -0.675 53.4-161.9 -85.9 138.5 0.7 85.9 -36.4 180 502 A K - 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0 0 8 -4,-1.7 -3,-0.2 -5,-0.4 -4,-0.1 0.861 32.1-175.5 69.6 36.5 9.4 89.6 -28.8 195 517 A W < - 0 0 23 -5,-1.1 4,-0.3 -6,-0.3 -1,-0.1 -0.256 18.6-146.3 -58.9 156.1 8.7 88.7 -32.4 196 518 A N S > S+ 0 0 31 2,-0.1 4,-2.1 3,-0.1 3,-0.3 0.801 83.9 66.1-100.2 -37.3 10.3 85.5 -33.5 197 519 A I H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.907 98.4 54.6 -60.0 -41.9 11.2 86.0 -37.2 198 520 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.873 109.3 48.8 -56.8 -40.2 13.8 88.7 -36.5 199 521 A A H > S+ 0 0 0 -4,-0.3 4,-2.8 -3,-0.3 5,-0.3 0.917 107.9 54.5 -68.3 -44.3 15.6 86.4 -34.1 200 522 A Y H X S+ 0 0 16 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.928 112.3 43.0 -49.2 -53.1 15.6 83.5 -36.6 201 523 A W H X S+ 0 0 35 -4,-2.3 4,-2.8 -39,-0.2 -2,-0.2 0.927 111.5 55.5 -66.3 -38.1 17.2 85.8 -39.2 202 524 A T H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.940 110.3 44.0 -59.6 -47.2 19.7 87.1 -36.7 203 525 A Y H X S+ 0 0 8 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.886 111.1 54.9 -67.1 -37.4 20.9 83.7 -35.7 204 526 A R H X S+ 0 0 105 -4,-2.1 4,-2.9 -5,-0.3 -1,-0.2 0.917 107.3 51.0 -56.5 -46.5 21.1 82.7 -39.4 205 527 A M H X S+ 0 0 26 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.914 107.1 52.9 -58.7 -44.6 23.3 85.7 -40.0 206 528 A L H <>S+ 0 0 0 -4,-2.1 5,-2.4 2,-0.2 4,-0.3 0.917 110.9 48.0 -55.5 -44.1 25.6 84.7 -37.1 207 529 A R H ><5S+ 0 0 130 -4,-2.2 3,-2.4 1,-0.2 -2,-0.2 0.969 109.7 51.1 -61.5 -52.4 25.9 81.2 -38.7 208 530 A E H 3<5S+ 0 0 133 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.845 110.6 50.3 -55.2 -36.3 26.6 82.6 -42.2 209 531 A N T 3<5S- 0 0 97 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.441 111.9-120.9 -80.7 -3.4 29.3 84.8 -40.6 210 532 A G T < 5 + 0 0 64 -3,-2.4 -3,-0.2 -4,-0.3 -2,-0.1 0.727 46.3 176.8 71.3 23.4 30.9 81.8 -38.8 211 533 A V < - 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