==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDOGLYCAN 16-DEC-04 2BG1 . COMPND 2 MOLECULE: PENICILLIN-BINDING PROTEIN 1B; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR P.MACHEBOEUF,A.M.DI GUILMI,V.JOB,T.VERNET,O.DIDEBERG, . 455 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 28 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 2 0 1 2 1 0 0 0 3 0 1 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 2 3 1 1 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 2 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 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 1 108 A I 0 0 103 0, 0.0 58,-0.2 0, 0.0 56,-0.0 0.000 360.0 360.0 360.0 116.5 24.0 29.7 46.4 2 109 A T 0 0 65 56,-2.6 57,-0.1 0, 0.0 59,-0.1 0.593 360.0 360.0 -98.1-112.3 23.7 29.2 42.7 3 110 A Y 0 0 111 57,-0.3 58,-0.1 60,-0.0 60,-0.1 -0.747 360.0 360.0-173.0 360.0 25.1 31.6 40.0 4 ! 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 5 337 A D > 0 0 111 0, 0.0 4,-2.1 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -31.6 36.3 33.8 49.1 6 338 A Y H > + 0 0 9 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.922 360.0 54.8 -54.3 -46.5 35.0 37.3 48.3 7 339 A L H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.914 108.2 47.4 -54.1 -49.1 32.1 35.8 46.3 8 340 A Y H > S+ 0 0 138 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.952 116.5 41.6 -60.6 -52.2 30.9 33.6 49.2 9 341 A F H X S+ 0 0 95 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.845 115.8 49.6 -67.1 -34.0 31.0 36.4 51.8 10 342 A T H X S+ 0 0 12 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.937 115.2 43.1 -69.4 -46.6 29.5 39.0 49.5 11 343 A T H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.927 115.4 49.6 -63.9 -45.7 26.7 36.8 48.5 12 344 A L H X S+ 0 0 35 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.916 109.8 51.7 -59.7 -45.1 26.1 35.6 52.0 13 345 A A H X S+ 0 0 44 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.902 112.5 44.2 -60.7 -44.1 26.0 39.1 53.3 14 346 A E H X S+ 0 0 29 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.903 113.0 51.3 -69.3 -39.9 23.4 40.3 50.8 15 347 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.885 107.4 54.2 -63.5 -38.4 21.3 37.2 51.3 16 348 A Q H X S+ 0 0 60 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.859 107.1 51.0 -64.0 -35.5 21.4 37.8 55.1 17 349 A E H X S+ 0 0 126 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.896 112.2 45.6 -69.2 -40.0 20.1 41.3 54.6 18 350 A R H X S+ 0 0 72 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.868 112.5 51.2 -70.0 -36.5 17.2 40.2 52.4 19 351 A M H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.886 106.3 56.2 -66.4 -38.7 16.4 37.3 54.9 20 352 A Y H X S+ 0 0 37 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.927 108.3 46.3 -58.7 -47.2 16.4 39.9 57.7 21 353 A D H X S+ 0 0 82 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.907 113.6 49.4 -62.8 -43.1 13.7 42.0 55.9 22 354 A Y H X S+ 0 0 47 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.929 112.1 46.6 -62.3 -47.8 11.7 38.9 55.1 23 355 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 6,-0.2 0.882 111.0 51.6 -63.8 -40.7 11.7 37.5 58.7 24 356 A A H <>S+ 0 0 5 -4,-2.2 5,-2.3 -5,-0.2 -1,-0.2 0.910 114.6 43.4 -62.8 -42.2 10.9 40.9 60.3 25 357 A Q H ><5S+ 0 0 155 -4,-1.9 3,-1.4 3,-0.2 -2,-0.2 0.894 112.0 53.7 -69.4 -41.7 7.9 41.2 58.0 26 358 A R H 3<5S+ 0 0 112 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.938 109.5 47.6 -57.3 -49.5 6.9 37.6 58.5 27 359 A D T 3<5S- 0 0 59 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.374 112.8-121.6 -74.9 4.4 6.9 38.1 62.3 28 360 A N T < 5 + 0 0 140 -3,-1.4 -3,-0.2 1,-0.2 2,-0.2 0.725 45.2 177.5 61.6 23.5 4.8 41.3 61.8 29 361 A V < - 0 0 30 -5,-2.3 -1,-0.2 -6,-0.2 5,-0.1 -0.416 28.4-121.4 -61.0 124.4 7.5 43.3 63.6 30 362 A S > - 0 0 42 -2,-0.2 4,-1.0 -3,-0.1 5,-0.1 -0.201 15.3-114.0 -67.1 158.4 6.5 47.0 63.5 31 363 A A T 4 S+ 0 0 81 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.838 119.2 46.6 -60.5 -32.5 8.6 49.7 62.0 32 364 A K T >4 S+ 0 0 167 1,-0.2 3,-2.1 2,-0.2 4,-0.4 0.926 109.0 50.1 -76.1 -48.5 9.0 51.1 65.5 33 365 A E T 34 S+ 0 0 127 1,-0.3 3,-0.2 2,-0.2 -1,-0.2 0.629 106.8 60.2 -66.1 -11.3 9.9 47.9 67.3 34 366 A L T 3< S+ 0 0 41 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.494 90.5 67.3 -93.1 -5.9 12.4 47.4 64.5 35 367 A K S < S+ 0 0 155 -3,-2.1 2,-0.3 -5,-0.1 -1,-0.2 0.592 77.6 105.6 -86.1 -12.7 14.2 50.6 65.4 36 368 A N > - 0 0 80 -4,-0.4 4,-2.4 -3,-0.2 5,-0.2 -0.534 69.0-144.9 -70.8 127.8 15.2 48.9 68.7 37 369 A E H > S+ 0 0 164 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.896 99.3 50.9 -60.4 -43.4 18.9 48.0 68.6 38 370 A A H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.936 111.9 47.2 -60.7 -47.2 18.3 44.8 70.6 39 371 A T H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 111.2 51.8 -62.0 -40.8 15.5 43.7 68.3 40 372 A Q H X S+ 0 0 63 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.918 108.4 51.4 -62.5 -43.3 17.7 44.4 65.2 41 373 A K H X S+ 0 0 142 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.911 109.4 50.4 -60.7 -43.4 20.5 42.4 66.6 42 374 A F H X S+ 0 0 113 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.949 112.2 45.9 -61.0 -49.4 18.2 39.4 67.2 43 375 A Y H X S+ 0 0 21 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.803 110.1 53.8 -67.0 -27.9 16.8 39.5 63.7 44 376 A R H X S+ 0 0 137 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.925 113.0 43.6 -71.0 -41.4 20.2 39.8 62.1 45 377 A D H X S+ 0 0 78 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.887 112.5 53.0 -68.7 -38.1 21.4 36.7 64.0 46 378 A L H X S+ 0 0 36 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.921 108.1 50.8 -61.6 -44.4 18.1 34.9 63.2 47 379 A A H X S+ 0 0 1 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.887 109.4 51.0 -60.9 -40.5 18.6 35.7 59.5 48 380 A A H X S+ 0 0 15 -4,-1.8 4,-2.7 1,-0.2 3,-0.2 0.956 112.3 45.7 -62.6 -49.6 22.1 34.3 59.6 49 381 A K H X S+ 0 0 92 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.842 106.1 60.7 -62.6 -35.0 21.0 31.1 61.3 50 382 A E H < S+ 0 0 48 -4,-2.4 4,-0.5 1,-0.2 6,-0.3 0.918 112.8 36.9 -59.2 -43.8 18.1 30.7 58.8 51 383 A I H >< S+ 0 0 29 -4,-1.7 3,-0.8 -3,-0.2 4,-0.5 0.918 106.6 67.9 -74.0 -43.6 20.6 30.6 55.9 52 384 A E H 3< S- 0 0 118 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.801 130.1 -2.4 -45.1 -38.3 23.2 28.6 57.9 53 385 A N T 3< S+ 0 0 127 -4,-1.5 -1,-0.3 -3,-0.1 -2,-0.2 -0.019 102.8 102.5-150.3 38.4 20.8 25.6 57.9 54 386 A G S < S- 0 0 29 -3,-0.8 206,-0.5 -4,-0.5 -3,-0.1 0.546 77.3-129.6-100.6 -9.3 17.6 26.5 56.2 55 387 A G + 0 0 56 -4,-0.5 -4,-0.1 1,-0.2 -3,-0.1 0.775 47.6 166.9 66.5 25.3 18.1 24.8 52.9 56 388 A Y - 0 0 34 -6,-0.3 2,-0.7 -5,-0.2 203,-0.2 -0.362 37.1-127.8 -71.9 152.6 17.2 28.0 51.1 57 389 A K E -A 258 0A 94 201,-3.5 201,-2.1 -2,-0.1 2,-0.7 -0.891 24.6-168.4-105.6 106.3 17.9 28.4 47.4 58 390 A I E -A 257 0A 4 -2,-0.7 -56,-2.6 199,-0.2 2,-0.5 -0.856 2.5-162.6-100.3 113.0 19.8 31.6 46.8 59 391 A T E -A 256 0A 26 197,-2.8 196,-2.5 -2,-0.7 197,-1.6 -0.833 10.2-170.0 -97.5 123.0 20.0 32.6 43.1 60 392 A T E -A 254 0A 5 -2,-0.5 -57,-0.3 194,-0.2 194,-0.2 -0.594 31.8-126.0-106.6 171.2 22.7 35.2 42.2 61 393 A T + 0 0 22 192,-2.1 193,-0.1 -2,-0.2 2,-0.1 0.444 68.3 126.7 -92.0 -3.7 23.5 37.2 39.1 62 394 A I - 0 0 3 191,-0.4 2,-0.8 1,-0.1 42,-0.2 -0.329 56.2-142.8 -63.1 131.3 27.1 35.9 39.0 63 395 A D > - 0 0 53 40,-2.7 4,-3.2 1,-0.2 5,-0.3 -0.867 13.4-151.0 -95.0 107.7 28.3 34.3 35.8 64 396 A Q H > S+ 0 0 82 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.879 90.8 44.9 -45.7 -56.0 30.6 31.5 37.0 65 397 A K H > S+ 0 0 136 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.885 117.4 45.5 -60.9 -40.3 33.0 31.4 34.1 66 398 A I H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.961 114.1 46.3 -69.3 -51.1 33.3 35.1 33.9 67 399 A H H X S+ 0 0 8 -4,-3.2 4,-1.8 36,-0.4 -2,-0.2 0.916 113.9 50.0 -58.3 -42.7 33.8 35.7 37.7 68 400 A S H X S+ 0 0 53 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.912 109.4 50.9 -61.7 -42.6 36.3 32.8 37.8 69 401 A A H X S+ 0 0 18 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.861 108.4 53.3 -63.3 -35.3 38.2 34.3 34.8 70 402 A M H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.855 107.3 51.0 -68.7 -33.4 38.3 37.6 36.6 71 403 A Q H X S+ 0 0 52 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.900 110.7 47.6 -69.7 -40.7 39.8 36.0 39.7 72 404 A S H X S+ 0 0 62 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.867 109.7 56.3 -67.2 -34.3 42.5 34.3 37.7 73 405 A A H X S+ 0 0 4 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.935 109.8 41.7 -64.0 -48.2 43.1 37.7 36.0 74 406 A V H X S+ 0 0 8 -4,-2.0 4,-1.4 3,-0.2 -1,-0.2 0.838 114.6 54.2 -70.4 -28.3 43.8 39.6 39.2 75 407 A A H < S+ 0 0 72 -4,-1.7 4,-0.2 -5,-0.2 -2,-0.2 0.948 120.3 29.9 -68.0 -47.7 45.8 36.7 40.5 76 408 A D H < S+ 0 0 104 -4,-2.7 -2,-0.2 1,-0.1 -3,-0.2 0.798 134.6 27.7 -83.3 -30.7 48.1 36.6 37.5 77 409 A Y H >< S+ 0 0 93 -4,-3.0 3,-1.6 -5,-0.3 4,-0.2 0.412 88.4 96.5-114.3 1.2 48.1 40.3 36.5 78 410 A G G >< S+ 0 0 0 -4,-1.4 3,-2.1 -5,-0.3 4,-0.4 0.830 75.9 67.7 -60.5 -30.3 47.4 42.1 39.7 79 411 A Y G > S+ 0 0 150 1,-0.3 3,-1.2 -4,-0.2 -1,-0.3 0.743 83.4 74.0 -63.0 -20.4 51.2 42.7 40.2 80 412 A L G < S+ 0 0 38 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.660 89.1 61.7 -66.4 -14.0 51.0 45.0 37.1 81 413 A L G < S+ 0 0 0 -3,-2.1 2,-0.5 -4,-0.2 -1,-0.3 0.722 74.9 104.9 -83.4 -23.2 49.3 47.5 39.4 82 414 A D < + 0 0 61 -3,-1.2 5,-0.1 -4,-0.4 -3,-0.0 -0.473 42.7 173.0 -66.1 113.4 52.3 47.8 41.8 83 415 A D - 0 0 31 -2,-0.5 -1,-0.1 3,-0.4 272,-0.1 0.167 61.1 -83.5-108.9 13.9 53.8 51.2 40.9 84 416 A G S S+ 0 0 78 2,-0.3 3,-0.1 269,-0.1 -2,-0.1 0.547 110.8 95.2 96.6 5.2 56.5 51.6 43.6 85 417 A T S S- 0 0 34 1,-0.5 2,-0.1 265,-0.0 265,-0.1 -0.005 99.0 -92.5-114.3 25.5 54.2 53.0 46.3 86 418 A G S S- 0 0 44 2,-0.1 -1,-0.5 260,-0.0 2,-0.4 -0.408 78.9 -11.5 96.4-175.5 53.7 49.7 47.9 87 419 A R S S- 0 0 126 -2,-0.1 2,-0.5 -5,-0.1 -8,-0.1 -0.476 70.3-145.4 -62.7 114.0 51.1 46.9 47.4 88 420 A V - 0 0 0 -2,-0.4 258,-0.2 -10,-0.1 -7,-0.1 -0.737 9.5-145.6 -89.3 125.0 48.3 48.5 45.3 89 421 A E E -C 345 0B 8 256,-2.4 256,-1.6 -2,-0.5 2,-0.3 -0.437 16.1-162.9 -85.9 164.1 44.8 47.4 46.1 90 422 A V E -C 344 0B 0 254,-0.2 28,-0.4 -2,-0.1 2,-0.3 -0.990 16.2-171.2-150.2 153.0 42.0 47.0 43.5 91 423 A G E +C 343 0B 0 252,-2.2 252,-2.4 -2,-0.3 2,-0.3 -0.986 11.6 174.2-146.5 134.2 38.2 46.8 43.1 92 424 A N E -CD 342 106B 0 14,-2.0 14,-2.3 -2,-0.3 2,-0.4 -0.995 10.7-169.1-141.8 148.0 36.2 46.0 39.9 93 425 A V E -CD 341 105B 0 248,-1.6 248,-2.4 -2,-0.3 2,-0.6 -0.982 8.9-156.6-140.2 123.7 32.5 45.3 39.1 94 426 A L E -CD 340 104B 0 10,-2.8 9,-1.6 -2,-0.4 10,-1.1 -0.904 22.7-175.7-101.5 122.5 31.2 44.0 35.8 95 427 A M E -CD 339 102B 0 244,-3.1 244,-2.2 -2,-0.6 2,-0.5 -0.944 29.8-122.5-127.1 141.9 27.6 45.0 35.3 96 428 A D E >> -C 338 0B 43 5,-2.9 4,-2.6 -2,-0.4 3,-0.7 -0.675 21.8-148.5 -78.2 123.7 24.9 44.2 32.7 97 429 A N T 34 S+ 0 0 0 240,-2.8 -1,-0.1 -2,-0.5 241,-0.1 0.777 92.4 50.5 -66.9 -28.0 23.7 47.6 31.3 98 430 A Q T 34 S+ 0 0 77 239,-0.5 -1,-0.2 1,-0.1 240,-0.1 0.603 127.4 17.6 -86.5 -11.7 20.2 46.5 30.6 99 431 A T T <4 S- 0 0 55 -3,-0.7 -2,-0.2 2,-0.2 3,-0.1 0.603 89.2-122.3-132.1 -22.6 19.4 44.9 34.0 100 432 A G < + 0 0 0 -4,-2.6 152,-1.4 1,-0.3 2,-0.1 0.451 59.3 151.2 88.3 -0.1 21.9 46.2 36.6 101 433 A A B -g 252 0C 11 150,-0.2 -5,-2.9 -5,-0.2 2,-0.8 -0.423 46.0-131.2 -67.7 137.7 22.9 42.6 37.3 102 434 A I E -D 95 0B 2 150,-2.0 -7,-0.2 -7,-0.2 -41,-0.1 -0.825 22.8-177.1 -95.1 112.4 26.5 42.1 38.5 103 435 A L E - 0 0 19 -9,-1.6 -40,-2.7 -2,-0.8 -36,-0.4 0.754 64.1 -25.8 -79.8 -27.1 28.1 39.3 36.5 104 436 A G E -D 94 0B 0 -10,-1.1 -10,-2.8 -42,-0.2 2,-0.3 -0.973 58.9-168.5-174.8 169.0 31.4 39.3 38.3 105 437 A F E -D 93 0B 0 -2,-0.3 2,-0.5 -12,-0.2 -12,-0.2 -0.986 22.7-125.6-164.2 167.1 33.8 41.3 40.4 106 438 A V E -D 92 0B 0 -14,-2.3 -14,-2.0 -2,-0.3 3,-0.1 -0.993 16.7-174.3-123.0 121.0 37.2 41.7 41.9 107 439 A G - 0 0 0 -2,-0.5 11,-3.2 1,-0.3 2,-0.3 0.699 61.1 -49.0 -89.2 -20.5 37.3 42.3 45.6 108 440 A G - 0 0 3 9,-0.2 -1,-0.3 10,-0.1 3,-0.2 -0.975 65.8 -68.0 170.5-177.8 41.0 42.8 46.0 109 441 A R S S- 0 0 20 -2,-0.3 2,-0.2 1,-0.2 -31,-0.1 0.858 114.3 -10.7 -65.7 -37.8 44.5 41.5 45.3 110 442 A N >> - 0 0 60 4,-0.3 4,-2.0 1,-0.1 3,-1.7 -0.696 52.6-152.8-169.3 108.7 44.2 38.4 47.5 111 443 A Y T 34 S+ 0 0 52 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.856 97.8 59.6 -51.6 -41.7 41.4 37.7 50.1 112 444 A Q T 34 S+ 0 0 144 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.731 114.7 36.0 -61.9 -23.4 43.8 35.5 52.2 113 445 A E T <4 S+ 0 0 145 -3,-1.7 2,-0.3 1,-0.3 -1,-0.2 0.690 135.7 13.1-101.8 -25.0 46.1 38.5 52.7 114 446 A N < - 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0 0 30 14,-0.4 8,-2.5 8,-0.3 2,-0.3 -0.964 28.8-126.2-161.2 158.7 40.8 80.9 38.8 157 489 A N B -K 163 0F 81 -2,-0.3 5,-0.1 6,-0.3 2,-0.0 -0.767 20.3-111.0-115.2 159.4 40.8 80.4 42.6 158 490 A F > - 0 0 46 4,-3.5 3,-2.0 -2,-0.3 -1,-0.1 -0.238 53.1 -88.6 -71.5 174.1 38.5 78.7 45.1 159 491 A A T 3 S+ 0 0 92 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.770 128.3 58.1 -58.3 -27.8 36.6 81.1 47.5 160 492 A N T 3 S- 0 0 112 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.332 121.1-104.1 -86.6 7.8 39.5 80.9 49.9 161 493 A G S < S+ 0 0 42 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.0 0.275 78.2 133.2 91.2 -13.3 42.0 82.2 47.4 162 494 A N - 0 0 97 -5,-0.1 -4,-3.5 1,-0.1 -1,-0.3 -0.548 60.3-114.4 -73.7 134.5 43.7 78.9 46.7 163 495 A P B -K 157 0F 50 0, 0.0 2,-0.7 0, 0.0 -6,-0.3 -0.375 21.7-116.7 -69.9 145.4 44.1 78.2 42.9 164 496 A I - 0 0 3 -8,-2.5 -8,-0.3 6,-0.2 2,-0.2 -0.759 44.6-159.5 -82.5 118.0 42.2 75.4 41.3 165 497 A M - 0 0 48 -2,-0.7 2,-0.3 21,-0.1 5,-0.2 -0.600 31.4-165.0-104.9 162.3 45.0 73.1 40.0 166 498 A Y B > S-L 169 0G 58 3,-1.8 3,-2.4 -2,-0.2 2,-0.2 -0.858 78.7 -55.0-140.4 93.9 45.5 70.3 37.4 167 499 A A T 3 S- 0 0 52 -2,-0.3 -1,-0.1 1,-0.3 157,-0.0 -0.504 119.8 -25.7 63.7-128.8 48.7 68.6 38.4 168 500 A N T 3 S+ 0 0 158 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.304 118.2 105.5 -97.4 11.2 51.2 71.6 38.5 169 501 A S B < -L 166 0G 36 -3,-2.4 -3,-1.8 1,-0.1 3,-0.1 -0.767 53.2-163.1 -96.7 134.9 49.1 73.6 36.0 170 502 A K - 0 0 130 -2,-0.4 -14,-0.4 1,-0.4 2,-0.2 0.424 62.1 -86.9 -90.1 -1.1 47.1 76.6 37.0 171 503 A G - 0 0 17 -5,-0.2 -1,-0.4 -16,-0.1 -17,-0.2 -0.647 30.4-130.6 124.9 178.0 45.1 76.4 33.7 172 504 A T - 0 0 73 -19,-2.0 2,-0.2 1,-0.3 3,-0.1 0.214 44.0 -79.1-133.0-101.9 45.2 77.6 30.1 173 505 A G - 0 0 15 1,-0.2 -20,-1.8 -19,-0.2 -1,-0.3 -0.505 69.9 -19.1-146.9-144.4 42.3 79.2 28.3 174 506 A M E +I 152 0E 46 -22,-0.2 2,-0.3 -2,-0.2 -22,-0.2 -0.452 61.6 168.4 -74.0 148.9 39.1 78.5 26.5 175 507 A M E -I 151 0E 6 -24,-2.1 -24,-3.3 -2,-0.1 2,-0.0 -0.987 34.8 -99.3-158.1 157.9 38.5 75.0 25.3 176 508 A T E > -I 150 0E 36 -2,-0.3 4,-2.3 -26,-0.2 -26,-0.2 -0.321 37.6-110.7 -75.2 162.6 35.7 72.7 24.0 177 509 A L H > S+ 0 0 0 -28,-1.4 4,-2.6 1,-0.2 5,-0.2 0.874 119.8 60.1 -60.3 -36.3 33.8 70.3 26.2 178 510 A G H > S+ 0 0 16 -31,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.933 107.2 42.2 -57.4 -49.1 35.6 67.6 24.2 179 511 A E H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 5,-0.4 0.901 112.2 55.3 -65.8 -40.8 39.1 68.8 25.3 180 512 A A H X>S+ 0 0 0 -4,-2.3 5,-1.4 1,-0.2 4,-1.3 0.906 114.5 40.0 -58.7 -42.2 37.9 69.4 28.8 181 513 A L H <5S+ 0 0 0 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.888 111.8 54.7 -75.4 -41.2 36.8 65.8 29.1 182 514 A N H <5S+ 0 0 28 -4,-2.7 115,-0.4 -5,-0.2 -2,-0.2 0.918 123.6 27.5 -59.0 -44.6 39.7 64.2 27.2 183 515 A Y H <5S- 0 0 94 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.684 101.5-133.4 -88.5 -21.9 42.2 65.9 29.6 184 516 A S T <5 - 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