==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 28-JAN-10 2X4A . COMPND 2 MOLECULE: INVASION PROTEIN INVA; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR L.J.WORRALL,M.VUCKOVIC,N.C.J.STRYNADKA . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16129.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 19 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 0 0 1 1 2 2 2 1 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 0 0 4 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 1 359 A T 0 0 130 0, 0.0 137,-0.1 0, 0.0 36,-0.0 0.000 360.0 360.0 360.0 151.5 38.8 -2.3 -2.7 2 360 A V - 0 0 87 37,-0.0 2,-0.1 0, 0.0 56,-0.0 -0.912 360.0-100.4-107.1 150.3 42.2 -0.9 -1.5 3 361 A P - 0 0 37 0, 0.0 55,-0.4 0, 0.0 56,-0.3 -0.362 22.3-124.3 -72.7 152.3 45.0 -3.5 -2.0 4 362 A L E -a 40 0A 5 35,-2.8 37,-2.3 53,-0.1 2,-0.5 -0.676 29.5-146.6 -84.9 144.4 46.6 -5.7 0.6 5 363 A I E -aB 41 56A 4 51,-2.0 51,-2.5 -2,-0.3 2,-0.6 -0.968 14.2-166.6-124.6 129.5 50.3 -5.3 0.9 6 364 A L E -aB 42 55A 3 35,-2.6 37,-2.2 -2,-0.5 2,-0.5 -0.952 12.0-153.6-109.3 113.6 53.0 -7.8 1.7 7 365 A L E +aB 43 54A 12 47,-2.3 47,-1.9 -2,-0.6 37,-0.2 -0.747 24.7 179.2 -83.5 130.7 56.3 -6.4 2.6 8 366 A V E -a 44 0A 0 35,-2.5 37,-2.9 -2,-0.5 45,-0.1 -0.876 34.0 -85.2-132.8 159.4 58.9 -9.0 1.7 9 367 A P >> - 0 0 0 0, 0.0 3,-2.1 0, 0.0 4,-1.0 -0.453 32.4-125.9 -70.1 139.8 62.7 -9.2 1.9 10 368 A K G >4 S+ 0 0 145 35,-0.5 3,-1.1 1,-0.3 4,-0.5 0.903 109.8 57.9 -45.1 -48.4 64.6 -7.8 -1.1 11 369 A S G 34 S+ 0 0 72 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.614 112.0 38.9 -64.1 -16.7 66.5 -11.1 -1.4 12 370 A R G <> S+ 0 0 30 -3,-2.1 4,-1.9 2,-0.1 -1,-0.3 0.473 86.3 95.0-109.3 -11.9 63.3 -13.2 -1.8 13 371 A R H S+ 0 0 137 -4,-0.5 4,-3.0 1,-0.2 -1,-0.2 0.933 109.9 46.0 -48.1 -55.0 62.1 -12.6 -7.3 15 373 A D H > S+ 0 0 89 -4,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.897 111.8 53.0 -58.6 -37.7 61.1 -16.1 -6.1 16 374 A L H X>S+ 0 0 6 -4,-1.9 5,-1.9 2,-0.2 4,-0.8 0.956 111.4 44.1 -69.3 -51.7 57.8 -14.8 -4.7 17 375 A E H ><5S+ 0 0 90 -4,-2.8 3,-1.3 3,-0.2 -2,-0.2 0.954 116.1 49.5 -42.9 -54.2 56.8 -13.0 -8.0 18 376 A K H 3<5S+ 0 0 158 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.852 112.7 46.0 -65.2 -32.2 58.0 -16.2 -9.9 19 377 A A H 3<5S- 0 0 29 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.575 107.3-131.7 -79.7 -11.0 55.9 -18.4 -7.5 20 378 A Q T < + 0 0 11 -5,-1.9 4,-2.4 1,-0.2 5,-0.2 0.927 67.2 60.5 -52.5 -48.2 52.4 -15.8 -4.2 22 380 A A H > S+ 0 0 14 1,-0.2 4,-1.3 -6,-0.2 -1,-0.2 0.940 114.4 31.1 -48.5 -58.9 50.2 -12.8 -4.6 23 381 A E H > S+ 0 0 86 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.831 115.0 56.0 -77.7 -36.4 47.5 -14.4 -6.8 24 382 A R H X S+ 0 0 141 -4,-2.4 4,-3.3 1,-0.2 5,-0.3 0.902 104.4 57.6 -63.2 -35.4 47.7 -17.9 -5.5 25 383 A L H X S+ 0 0 9 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.932 108.0 45.5 -51.5 -51.3 47.0 -16.5 -2.0 26 384 A R H X S+ 0 0 61 -4,-1.3 4,-2.1 -5,-0.2 11,-0.2 0.917 113.6 50.2 -62.5 -43.1 43.8 -15.0 -3.3 27 385 A S H X S+ 0 0 70 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.945 112.0 45.1 -62.9 -52.8 42.8 -18.1 -5.1 28 386 A Q H X S+ 0 0 76 -4,-3.3 4,-2.9 1,-0.2 -1,-0.2 0.882 110.2 55.9 -63.9 -33.2 43.3 -20.4 -2.2 29 387 A F H X S+ 0 0 0 -4,-2.2 4,-3.2 -5,-0.3 6,-0.5 0.884 109.4 47.8 -64.5 -38.0 41.5 -18.0 0.2 30 388 A F H X S+ 0 0 108 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.872 111.5 49.3 -67.1 -39.7 38.5 -18.2 -2.1 31 389 A I H < S+ 0 0 86 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.931 119.2 37.8 -69.1 -40.6 38.7 -21.9 -2.2 32 390 A D H < S+ 0 0 39 -4,-2.9 154,-0.3 -5,-0.2 -2,-0.2 0.938 134.6 17.6 -75.1 -43.8 38.9 -22.1 1.5 33 391 A Y H < S- 0 0 11 -4,-3.2 152,-2.1 2,-0.2 -3,-0.2 0.576 90.5-124.8-113.7 -9.8 36.5 -19.3 2.6 34 392 A G S < S+ 0 0 6 -4,-1.6 2,-0.3 -5,-0.5 -4,-0.2 0.730 71.8 110.2 74.9 23.8 34.4 -18.4 -0.4 35 393 A V - 0 0 3 -6,-0.5 2,-0.6 -9,-0.1 -1,-0.3 -0.970 68.8-115.2-135.2 150.6 35.2 -14.7 -0.5 36 394 A R - 0 0 137 -2,-0.3 -9,-0.1 -3,-0.1 3,-0.1 -0.715 23.7-151.1 -79.6 114.0 37.3 -12.5 -2.8 37 395 A L - 0 0 3 -2,-0.6 3,-0.1 -11,-0.2 -7,-0.0 -0.591 28.9-108.8 -70.9 151.0 40.4 -10.9 -1.2 38 396 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 100,-0.0 -0.225 57.6 -63.1 -66.2 175.8 41.3 -7.6 -2.7 39 397 A E - 0 0 103 -3,-0.1 -35,-2.8 1,-0.1 2,-0.5 -0.294 52.3-144.5 -59.2 143.7 44.4 -7.5 -4.9 40 398 A V E -a 4 0A 7 -37,-0.2 2,-0.4 -3,-0.1 -35,-0.2 -0.979 14.3-166.3-112.1 121.9 47.6 -8.3 -3.0 41 399 A L E -a 5 0A 76 -37,-2.3 -35,-2.6 -2,-0.5 2,-0.4 -0.875 13.2-138.2-100.9 141.4 50.8 -6.5 -4.0 42 400 A L E +a 6 0A 15 -2,-0.4 2,-0.3 -37,-0.2 -35,-0.2 -0.795 24.7 177.9 -91.0 143.1 54.4 -7.5 -3.0 43 401 A R E -a 7 0A 101 -37,-2.2 -35,-2.5 -2,-0.4 2,-0.4 -0.991 34.3-107.2-144.9 136.8 56.7 -4.7 -2.0 44 402 A D E -a 8 0A 61 -2,-0.3 2,-0.5 -37,-0.2 -37,-0.1 -0.574 32.8-139.5 -64.5 119.5 60.4 -4.9 -0.7 45 403 A G > - 0 0 5 -37,-2.9 3,-1.0 -2,-0.4 -35,-0.5 -0.719 16.0-124.0 -83.0 126.3 60.5 -4.1 3.0 46 404 A E T 3 S+ 0 0 183 -2,-0.5 3,-0.1 1,-0.3 -1,-0.0 -0.507 93.4 3.7 -69.5 132.2 63.5 -1.9 4.1 47 405 A G T 3 S+ 0 0 84 1,-0.2 2,-0.4 -2,-0.2 -1,-0.3 0.944 87.8 146.3 49.5 54.2 65.5 -3.7 6.7 48 406 A L < - 0 0 23 -3,-1.0 -1,-0.2 -40,-0.1 -38,-0.2 -0.969 48.1-126.8-103.2 136.8 63.5 -7.0 6.7 49 407 A D > - 0 0 101 -2,-0.4 3,-1.7 -3,-0.1 -4,-0.1 -0.423 36.0 -90.8 -77.0 166.1 65.7 -9.9 7.5 50 408 A D T 3 S+ 0 0 80 1,-0.3 19,-0.3 -2,-0.1 -1,-0.1 0.573 122.9 45.9 -59.2 -12.2 65.6 -12.7 5.0 51 409 A N T 3 S+ 0 0 33 17,-0.1 16,-2.0 18,-0.1 2,-0.4 0.014 90.9 101.8-123.0 30.3 62.8 -14.7 6.8 52 410 A S E < - C 0 66A 4 -3,-1.7 2,-0.4 14,-0.2 14,-0.2 -0.886 40.2-178.7-117.0 143.2 60.3 -11.9 7.6 53 411 A I E - C 0 65A 0 12,-2.0 12,-2.9 -2,-0.4 2,-0.4 -0.973 8.8-161.6-132.7 146.0 57.0 -10.9 6.0 54 412 A V E -BC 7 64A 1 -47,-1.9 -47,-2.3 -2,-0.4 2,-0.4 -0.991 7.2-147.7-127.9 136.7 54.8 -7.9 7.1 55 413 A L E -BC 6 63A 2 8,-2.8 7,-3.6 -2,-0.4 8,-1.0 -0.913 10.8-167.9-104.0 136.0 51.1 -7.4 6.2 56 414 A L E -BC 5 61A 14 -51,-2.5 -51,-2.0 -2,-0.4 2,-0.4 -0.979 5.1-170.7-117.4 131.2 49.6 -3.9 5.7 57 415 A I E > S- C 0 60A 9 3,-1.9 3,-1.2 -2,-0.4 -53,-0.1 -0.999 86.9 -3.5-119.2 127.6 45.9 -3.3 5.5 58 416 A N T 3 S- 0 0 85 -55,-0.4 -1,-0.1 -2,-0.4 3,-0.1 0.785 132.2 -63.3 55.5 33.8 45.1 0.3 4.5 59 417 A E T 3 S+ 0 0 108 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.760 109.6 123.9 61.8 28.5 48.8 0.8 4.6 60 418 A I E < S-C 57 0A 117 -3,-1.2 -3,-1.9 0, 0.0 -1,-0.2 -0.984 70.6-113.7-118.2 123.7 49.0 0.1 8.3 61 419 A R E +C 56 0A 137 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.330 40.3 172.8 -51.3 124.4 51.4 -2.7 9.5 62 420 A V E - 0 0 55 -7,-3.6 2,-0.3 1,-0.4 -1,-0.2 0.750 57.1 -13.0-109.4 -35.2 49.0 -5.2 10.9 63 421 A E E -C 55 0A 57 -8,-1.0 -8,-2.8 2,-0.0 -1,-0.4 -0.952 52.3-139.4-167.0 146.5 51.3 -8.2 11.7 64 422 A Q E -C 54 0A 77 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.917 20.9-161.5-109.9 140.0 54.8 -9.5 11.1 65 423 A F E -C 53 0A 6 -12,-2.9 -12,-2.0 -2,-0.4 2,-0.6 -0.913 12.6-145.3-119.8 148.5 55.4 -13.2 10.4 66 424 A T E +C 52 0A 27 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.977 28.7 165.0-113.4 114.5 58.6 -15.3 10.5 67 425 A V - 0 0 0 -16,-2.0 2,-1.2 -2,-0.6 3,-0.1 -1.000 32.6-141.0-128.4 127.0 58.7 -17.9 7.8 68 426 A Y > - 0 0 45 -2,-0.4 3,-1.9 1,-0.2 51,-0.2 -0.761 14.0-163.2 -95.6 99.1 61.9 -19.6 7.0 69 427 A F T 3 S+ 0 0 28 -2,-1.2 50,-0.4 1,-0.3 51,-0.2 0.839 86.5 44.3 -52.9 -39.3 61.7 -19.9 3.2 70 428 A D T 3 S+ 0 0 100 -3,-0.1 33,-0.4 49,-0.1 -1,-0.3 0.574 109.4 66.6 -83.5 -5.0 64.4 -22.5 2.9 71 429 A L S < S- 0 0 33 -3,-1.9 48,-0.6 31,-0.1 2,-0.3 -0.429 73.6-124.7-113.1 175.9 63.2 -24.7 5.8 72 430 A M E -DE 101 118B 7 29,-3.3 29,-2.6 46,-0.2 2,-0.4 -0.957 21.5-128.3-122.4 145.2 60.1 -26.9 6.7 73 431 A R E -DE 100 117B 2 44,-3.0 44,-2.0 -2,-0.3 2,-0.7 -0.775 8.4-141.7 -97.3 134.2 57.9 -26.5 9.7 74 432 A V E > -DE 99 116B 1 25,-2.6 3,-0.7 -2,-0.4 25,-0.5 -0.889 18.1-171.9 -90.6 117.4 57.1 -29.5 11.9 75 433 A V T 3 S+ 0 0 3 40,-2.6 205,-0.3 -2,-0.7 -1,-0.2 0.856 81.6 38.0 -84.3 -40.8 53.5 -28.9 12.7 76 434 A N T 3 S+ 0 0 41 39,-0.6 -1,-0.3 203,-0.1 203,-0.1 -0.311 87.3 175.7-101.6 49.6 53.0 -31.7 15.4 77 435 A Y < + 0 0 10 -3,-0.7 2,-0.3 201,-0.2 201,-0.2 -0.286 6.2 175.7 -57.1 134.3 56.5 -31.1 16.9 78 436 A S > - 0 0 38 199,-0.1 3,-1.2 200,-0.1 4,-0.2 -0.862 43.9-110.0-124.5 170.4 57.4 -33.2 20.0 79 437 A D G > S+ 0 0 104 -2,-0.3 3,-1.9 1,-0.3 4,-0.4 0.678 108.2 81.5 -72.9 -15.8 60.7 -33.3 21.8 80 438 A E G > S+ 0 0 111 1,-0.3 3,-2.1 2,-0.2 4,-0.4 0.830 75.5 73.9 -54.7 -32.5 61.2 -36.8 20.5 81 439 A V G X >S+ 0 0 0 -3,-1.2 5,-1.4 1,-0.3 3,-1.0 0.770 88.8 59.6 -51.3 -29.5 62.4 -35.2 17.3 82 440 A V G X 5S+ 0 0 65 -3,-1.9 3,-1.3 1,-0.2 -1,-0.3 0.726 93.0 67.6 -73.5 -21.4 65.6 -34.3 19.2 83 441 A S G < 5S+ 0 0 97 -3,-2.1 -1,-0.2 -4,-0.4 -2,-0.2 0.619 93.7 57.0 -71.5 -17.1 66.1 -38.0 19.7 84 442 A F G < 5S- 0 0 67 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.1 0.032 125.2-103.7 -97.7 23.5 66.7 -38.5 16.0 85 443 A G T < 5S+ 0 0 58 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.635 78.5 137.0 64.5 18.4 69.5 -36.0 16.2 86 444 A I < - 0 0 3 -5,-1.4 -1,-0.2 19,-0.1 -2,-0.2 -0.842 33.7-169.4-100.8 124.7 67.4 -33.1 14.6 87 445 A N - 0 0 118 -2,-0.5 -5,-0.0 -3,-0.1 3,-0.0 -0.948 19.5-145.9-115.0 109.9 67.8 -29.7 16.3 88 446 A P - 0 0 21 0, 0.0 2,-0.6 0, 0.0 13,-0.2 -0.272 16.2-111.5 -78.0 161.4 65.2 -27.4 15.0 89 447 A T E -F 100 0B 60 11,-3.2 11,-2.8 2,-0.0 2,-0.5 -0.810 42.1-152.2 -85.9 124.4 65.3 -23.7 14.3 90 448 A I E -F 99 0B 89 -2,-0.6 2,-0.4 9,-0.2 9,-0.2 -0.856 17.6-174.5-108.0 129.2 63.0 -22.3 16.8 91 449 A H E -F 98 0B 46 7,-2.1 7,-2.4 -2,-0.5 2,-0.5 -0.993 11.9-153.2-121.2 135.2 61.0 -19.0 16.6 92 450 A Q E +F 97 0B 113 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.914 22.0 166.4-108.1 123.5 58.9 -17.7 19.5 93 451 A Q E > -F 96 0B 65 3,-1.8 3,-0.9 -2,-0.5 2,-0.2 -0.875 65.9 -28.9-148.8 103.0 55.8 -15.5 18.4 94 452 A G T 3 S- 0 0 64 -2,-0.3 210,-0.1 1,-0.2 209,-0.0 -0.574 120.3 -45.0 72.7-155.9 53.1 -14.6 20.9 95 453 A S T 3 S+ 0 0 44 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.045 120.5 103.2 -94.8 31.6 53.1 -17.5 23.4 96 454 A S E < - F 0 93B 4 -3,-0.9 -3,-1.8 184,-0.1 2,-0.4 -0.764 60.1-151.3 -96.3 152.7 53.2 -20.0 20.4 97 455 A Q E - F 0 92B 79 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.986 7.1-157.4-125.3 141.9 56.6 -21.7 19.5 98 456 A Y E - F 0 91B 18 -7,-2.4 -7,-2.1 -2,-0.4 2,-0.5 -0.959 1.5-154.6-123.8 135.5 57.4 -22.8 15.9 99 457 A F E -DF 74 90B 9 -25,-0.5 -25,-2.6 -2,-0.4 2,-0.3 -0.946 11.2-175.7-120.2 122.2 59.9 -25.4 14.9 100 458 A W E +DF 73 89B 0 -11,-2.8 -11,-3.2 -2,-0.5 2,-0.3 -0.885 3.8 175.7-121.6 146.1 61.6 -25.5 11.6 101 459 A V E -D 72 0B 2 -29,-2.6 -29,-3.3 -2,-0.3 2,-0.0 -0.846 36.4 -84.2-140.7 167.0 64.0 -28.1 10.2 102 460 A T > - 0 0 46 -2,-0.3 4,-2.5 -31,-0.2 -31,-0.1 -0.316 39.1-108.9 -73.8 163.4 65.8 -28.7 6.8 103 461 A H H > S+ 0 0 101 -33,-0.4 4,-1.5 2,-0.2 5,-0.1 0.859 122.3 49.9 -52.8 -38.8 64.2 -30.3 3.8 104 462 A E H > S+ 0 0 157 2,-0.2 4,-1.6 1,-0.2 3,-0.4 0.944 111.7 44.5 -69.9 -50.3 66.4 -33.2 4.4 105 463 A E H > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.822 110.8 60.1 -62.6 -31.1 65.6 -33.5 8.1 106 464 A G H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.851 100.5 50.6 -67.7 -36.8 62.0 -33.1 7.1 107 465 A E H X S+ 0 0 109 -4,-1.5 4,-1.3 -3,-0.4 -1,-0.2 0.893 110.2 51.8 -70.3 -36.3 61.9 -36.1 4.8 108 466 A K H >< S+ 0 0 103 -4,-1.6 3,-0.5 1,-0.2 4,-0.3 0.963 111.1 46.5 -65.3 -46.9 63.3 -38.2 7.7 109 467 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.2 3,-1.3 0.821 104.0 62.7 -65.7 -30.2 60.6 -36.9 10.1 110 468 A R H ><5S+ 0 0 112 -4,-1.9 3,-1.5 1,-0.3 -1,-0.2 0.892 101.4 52.0 -59.2 -40.3 57.8 -37.5 7.5 111 469 A E T <<5S+ 0 0 178 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.470 104.4 56.3 -79.0 -4.2 58.6 -41.2 7.6 112 470 A L T < 5S- 0 0 72 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.233 128.6 -97.0 -99.1 6.6 58.3 -41.2 11.4 113 471 A G T < 5S+ 0 0 56 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.335 76.3 141.7 97.2 -10.0 54.8 -39.8 11.1 114 472 A Y < - 0 0 20 -5,-2.0 2,-0.7 1,-0.1 -1,-0.3 -0.365 49.5-130.5 -67.2 145.3 55.4 -36.0 11.6 115 473 A V - 0 0 73 -2,-0.0 -40,-2.6 2,-0.0 -39,-0.6 -0.921 28.3-168.1 -98.2 113.6 53.4 -33.6 9.4 116 474 A L E -E 74 0B 9 -2,-0.7 2,-0.3 -42,-0.2 -42,-0.2 -0.725 4.6-163.2-104.9 153.7 55.7 -31.1 7.8 117 475 A R E -E 73 0B 30 -44,-2.0 -44,-3.0 -2,-0.3 -2,-0.0 -0.998 17.8-120.5-140.0 135.4 54.7 -27.9 6.0 118 476 A N E > -E 72 0B 64 -2,-0.3 4,-2.6 -46,-0.2 5,-0.3 -0.276 31.5-105.6 -77.0 165.2 56.6 -25.6 3.5 119 477 A A H > S+ 0 0 4 -48,-0.6 4,-2.1 -50,-0.4 5,-0.1 0.885 118.3 48.3 -59.0 -41.4 57.3 -22.0 4.1 120 478 A L H > S+ 0 0 45 2,-0.2 4,-2.4 -51,-0.2 -1,-0.2 0.930 111.9 47.0 -68.8 -45.7 54.7 -20.8 1.6 121 479 A D H > S+ 0 0 80 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.956 115.2 49.0 -55.9 -50.5 51.8 -23.0 2.8 122 480 A E H X S+ 0 0 3 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.896 109.5 51.6 -53.4 -44.4 52.7 -21.9 6.4 123 481 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.888 109.6 50.3 -64.8 -38.8 52.8 -18.3 5.2 124 482 A Y H X S+ 0 0 25 -4,-2.4 4,-3.5 2,-0.2 5,-0.2 0.906 107.4 51.7 -64.6 -44.3 49.4 -18.7 3.8 125 483 A H H X S+ 0 0 44 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.904 112.3 48.7 -63.1 -35.7 47.9 -20.3 6.9 126 484 A C H X S+ 0 0 13 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.923 115.3 42.0 -67.2 -49.9 49.2 -17.3 8.9 127 485 A L H X S+ 0 0 1 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.952 113.9 52.9 -62.7 -43.1 47.8 -14.7 6.5 128 486 A A H X S+ 0 0 3 -4,-3.5 4,-3.3 1,-0.2 5,-0.2 0.921 109.9 48.7 -56.1 -46.8 44.5 -16.6 6.1 129 487 A V H X S+ 0 0 9 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.934 115.6 42.4 -62.1 -50.1 44.1 -16.6 9.9 130 488 A T H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.855 117.3 47.5 -61.7 -42.9 44.9 -12.9 10.3 131 489 A L H < S+ 0 0 2 -4,-3.2 -2,-0.2 2,-0.2 -1,-0.2 0.869 107.2 55.7 -70.4 -37.0 42.8 -11.9 7.3 132 490 A A H >< S+ 0 0 0 -4,-3.3 3,-1.3 -5,-0.3 -2,-0.2 0.960 111.2 46.0 -56.4 -44.1 39.9 -14.1 8.5 133 491 A R H 3< S+ 0 0 71 -4,-1.8 3,-0.4 1,-0.3 -2,-0.2 0.838 112.6 49.7 -68.1 -32.9 40.0 -12.1 11.7 134 492 A N T >< S+ 0 0 44 -4,-1.7 3,-2.0 1,-0.2 4,-0.4 0.101 72.4 129.3 -95.0 24.9 40.2 -8.8 9.8 135 493 A V G X> + 0 0 1 -3,-1.3 3,-1.5 1,-0.3 4,-1.3 0.802 63.0 64.5 -48.1 -40.3 37.2 -9.7 7.6 136 494 A N G 34 S+ 0 0 106 -3,-0.4 -1,-0.3 1,-0.2 3,-0.2 0.847 90.3 68.5 -57.3 -30.1 35.5 -6.4 8.3 137 495 A E G <4 S+ 0 0 95 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.730 122.2 8.4 -60.8 -25.7 38.4 -4.5 6.5 138 496 A Y T <4 S+ 0 0 26 -3,-1.5 2,-0.4 -4,-0.4 -1,-0.2 0.295 119.6 64.9-140.1 10.0 37.4 -5.9 3.1 139 497 A F < + 0 0 6 -4,-1.3 -1,-0.2 -3,-0.2 2,-0.2 -0.968 60.3 109.9-145.0 124.0 34.1 -7.7 3.3 140 498 A G S > S- 0 0 13 -2,-0.4 4,-2.7 -3,-0.1 5,-0.2 -0.669 77.7 -27.9-164.7-151.8 30.8 -6.0 4.2 141 499 A I H > S+ 0 0 74 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.906 127.4 51.5 -54.9 -50.7 27.4 -4.9 2.6 142 500 A Q H > S+ 0 0 145 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.936 115.1 41.0 -58.1 -47.2 28.6 -4.5 -1.0 143 501 A E H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.918 114.5 51.6 -69.6 -42.8 30.3 -7.9 -1.2 144 502 A T H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.955 109.9 50.2 -51.0 -53.4 27.5 -9.7 0.6 145 503 A K H X S+ 0 0 95 -4,-2.9 4,-1.3 1,-0.3 -1,-0.2 0.857 110.2 50.7 -60.4 -33.8 25.0 -8.1 -1.8 146 504 A H H X S+ 0 0 79 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.3 0.884 107.9 51.8 -72.5 -34.6 27.2 -9.4 -4.7 147 505 A M H X S+ 0 0 34 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.913 107.9 53.2 -64.6 -41.4 27.3 -13.0 -3.2 148 506 A L H X S+ 0 0 8 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.825 104.1 55.9 -57.1 -38.8 23.5 -12.9 -3.0 149 507 A D H X S+ 0 0 59 -4,-1.3 4,-1.2 2,-0.2 -1,-0.2 0.932 108.4 47.4 -60.5 -47.5 23.2 -11.9 -6.7 150 508 A Q H < S+ 0 0 123 -4,-1.5 4,-0.5 1,-0.2 3,-0.3 0.905 113.2 48.4 -62.9 -42.4 25.2 -15.0 -7.7 151 509 A L H >X S+ 0 0 4 -4,-2.0 4,-3.7 1,-0.2 3,-1.4 0.901 106.1 57.9 -65.1 -41.7 23.0 -17.1 -5.4 152 510 A E H 3< S+ 0 0 87 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.765 97.7 60.0 -59.5 -30.6 19.7 -15.6 -6.9 153 511 A A T 3< S+ 0 0 94 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.695 121.4 26.6 -71.2 -18.7 20.7 -16.7 -10.5 154 512 A K T <4 S+ 0 0 143 -3,-1.4 -2,-0.2 -4,-0.5 -3,-0.1 0.767 137.5 20.7-103.2 -48.4 20.7 -20.3 -9.1 155 513 A F X + 0 0 68 -4,-3.7 4,-1.5 1,-0.1 5,-0.2 -0.610 64.0 158.3-129.5 70.3 18.3 -20.4 -6.1 156 514 A P H > S+ 0 0 48 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.898 73.9 54.3 -66.7 -38.8 15.9 -17.4 -6.4 157 515 A D H > S+ 0 0 129 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.907 108.9 48.3 -63.5 -42.8 13.1 -18.8 -4.2 158 516 A L H > S+ 0 0 28 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.837 107.6 55.6 -66.8 -33.3 15.5 -19.5 -1.2 159 517 A L H X S+ 0 0 11 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.936 110.0 47.3 -63.5 -43.2 17.0 -16.0 -1.5 160 518 A K H X S+ 0 0 122 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.818 107.5 54.4 -69.2 -32.2 13.5 -14.7 -1.1 161 519 A E H >X S+ 0 0 86 -4,-1.7 4,-0.8 2,-0.2 3,-0.7 0.977 110.3 47.8 -63.7 -47.9 12.6 -16.9 1.8 162 520 A V H >X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 3,-1.0 0.891 110.5 51.2 -60.7 -43.2 15.6 -15.6 3.7 163 521 A L H 3< S+ 0 0 73 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.669 96.3 66.9 -68.9 -22.3 14.8 -11.9 2.9 164 522 A R H << S+ 0 0 189 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.863 120.3 23.7 -59.6 -30.9 11.2 -12.2 4.1 165 523 A H H << S+ 0 0 61 -3,-1.0 2,-0.3 -4,-0.8 -2,-0.2 0.626 125.0 40.1-114.1 -17.7 12.9 -12.6 7.5 166 524 A A S < S- 0 0 9 -4,-1.8 -1,-0.2 -5,-0.1 2,-0.2 -0.991 70.5-131.3-133.9 140.3 16.5 -11.0 7.4 167 525 A T > - 0 0 89 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.491 31.3-109.2 -81.3 161.7 17.7 -7.8 5.9 168 526 A V H > S+ 0 0 43 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.847 121.7 56.9 -57.3 -35.3 20.8 -7.7 3.7 169 527 A Q H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.941 106.9 48.9 -55.9 -46.0 22.6 -5.8 6.5 170 528 A R H > S+ 0 0 65 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.871 109.0 50.3 -68.0 -41.1 21.8 -8.7 8.9 171 529 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.803 108.2 54.0 -69.2 -34.6 23.0 -11.5 6.6 172 530 A S H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.900 107.2 51.2 -63.8 -42.5 26.3 -9.5 6.1 173 531 A E H X S+ 0 0 48 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.902 110.1 50.7 -59.9 -39.6 26.7 -9.4 9.8 174 532 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.957 111.3 46.0 -65.1 -47.1 26.2 -13.2 10.0 175 533 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.879 112.0 52.1 -64.1 -42.4 28.7 -13.9 7.3 176 534 A Q H X S+ 0 0 31 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.878 109.1 50.2 -58.1 -40.5 31.3 -11.6 8.9 177 535 A R H X S+ 0 0 79 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.893 111.7 47.7 -74.0 -34.0 30.8 -13.4 12.2 178 536 A L H ><>S+ 0 0 2 -4,-2.3 5,-2.5 -5,-0.2 3,-1.0 0.962 115.1 44.8 -62.1 -49.9 31.3 -16.8 10.7 179 537 A L H ><5S+ 0 0 0 -4,-2.4 3,-2.4 1,-0.3 -2,-0.2 0.869 104.5 61.1 -70.7 -38.1 34.4 -15.7 8.8 180 538 A S H 3<5S+ 0 0 39 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.709 109.0 45.5 -59.1 -21.7 36.0 -13.8 11.8 181 539 A E T <<5S- 0 0 7 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.113 126.9-103.1-109.9 17.3 36.0 -17.2 13.6 182 540 A R T < 5S+ 0 0 15 -3,-2.4 2,-0.6 1,-0.2 -3,-0.2 0.680 71.9 143.5 72.3 24.7 37.4 -19.0 10.5 183 541 A V < - 0 0 6 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.856 50.4-121.8 -96.2 125.6 34.2 -20.6 9.3 184 542 A S - 0 0 17 -2,-0.6 -151,-0.2 1,-0.1 -150,-0.2 -0.234 17.1-164.6 -67.2 146.1 34.0 -20.7 5.6 185 543 A V + 0 0 0 -152,-2.1 3,-0.1 1,-0.1 -1,-0.1 -0.091 57.2 115.5-117.8 31.9 31.0 -19.1 3.8 186 544 A R + 0 0 158 -154,-0.3 2,-0.7 1,-0.2 3,-0.2 0.595 68.3 62.1 -75.2 -12.1 31.8 -21.0 0.5 187 545 A N > + 0 0 43 1,-0.2 4,-2.2 -3,-0.1 -1,-0.2 -0.756 59.3 162.1-116.5 78.8 28.5 -22.9 0.8 188 546 A M H > S+ 0 0 18 -2,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.790 71.4 63.1 -72.1 -28.6 26.0 -20.0 0.7 189 547 A K H > S+ 0 0 89 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.934 107.8 40.6 -58.2 -48.8 23.3 -22.5 -0.2 190 548 A L H > S+ 0 0 54 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.968 114.8 51.0 -68.6 -50.5 23.6 -24.3 3.1 191 549 A I H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.885 111.3 49.8 -50.9 -45.1 24.1 -21.1 5.2 192 550 A M H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -1,-0.2 0.930 108.2 51.2 -64.9 -45.1 21.0 -19.7 3.6 193 551 A E H X S+ 0 0 87 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.921 111.6 49.7 -55.2 -42.2 18.9 -22.8 4.3 194 552 A A H X S+ 0 0 8 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.851 111.5 47.1 -63.5 -40.2 20.1 -22.5 7.9 195 553 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.894 107.9 58.2 -64.4 -38.9 19.1 -18.7 7.9 196 554 A A H < S+ 0 0 20 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.890 111.9 41.5 -53.1 -40.6 15.8 -19.8 6.4 197 555 A L H < S+ 0 0 105 -4,-1.5 4,-0.4 -5,-0.2 -2,-0.2 0.926 128.7 23.8 -77.1 -45.5 15.2 -22.0 9.4 198 556 A W H X S+ 0 0 50 -4,-2.1 4,-1.5 2,-0.1 -3,-0.2 0.738 99.2 79.8-100.5 -30.4 16.4 -19.8 12.2 199 557 A A T < S+ 0 0 2 -4,-2.6 3,-0.3 1,-0.3 -3,-0.1 0.851 98.0 46.1 -56.6 -41.7 16.2 -16.2 11.1 200 558 A P T 4 S+ 0 0 50 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.928 116.7 48.0 -65.8 -36.2 12.4 -15.9 11.8 201 559 A R T 4 S+ 0 0 151 -4,-0.4 2,-0.5 1,-0.2 -2,-0.2 0.698 114.4 45.8 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