==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 23-FEB-10 3LW9 . COMPND 2 MOLECULE: INVASION PROTEIN INVA; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR C.E.STEBBINS,M.LILIC,C.M.QUEZADA . 333 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 15.3 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 . 4 1.2 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 . 23 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 0 2 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 2 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 358 A E 0 0 176 0, 0.0 39,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.5 -6.2 29.1 -13.5 2 359 A T + 0 0 143 37,-0.1 38,-0.1 2,-0.1 0, 0.0 0.614 360.0 79.4-108.0 -17.9 -8.5 32.0 -12.4 3 360 A V S S- 0 0 52 36,-0.0 -1,-0.0 1,-0.0 0, 0.0 -0.823 79.0-127.3 -96.3 124.0 -9.0 31.2 -8.7 4 361 A P - 0 0 36 0, 0.0 55,-0.7 0, 0.0 2,-0.4 -0.282 11.7-123.3 -68.2 150.3 -6.1 32.1 -6.3 5 362 A L E -aB 41 58A 6 35,-2.5 37,-2.8 53,-0.1 2,-0.5 -0.790 29.5-152.5 -82.1 134.8 -4.5 29.7 -3.8 6 363 A I E -aB 42 57A 11 51,-2.8 51,-3.0 -2,-0.4 2,-0.6 -0.936 9.7-163.4-114.6 132.0 -4.7 31.2 -0.3 7 364 A L E -aB 43 56A 2 35,-3.0 37,-2.4 -2,-0.5 2,-0.5 -0.966 9.5-151.7-113.7 113.3 -2.2 30.5 2.5 8 365 A L E -aB 44 55A 29 47,-2.4 47,-2.2 -2,-0.6 37,-0.2 -0.746 27.5-178.7 -74.1 124.2 -3.3 31.3 6.0 9 366 A V E -a 45 0A 0 35,-3.0 37,-3.0 -2,-0.5 40,-0.2 -0.825 34.9 -81.6-128.4 161.1 -0.1 32.1 7.9 10 367 A P >> - 0 0 2 0, 0.0 3,-1.8 0, 0.0 4,-1.3 -0.393 38.0-127.3 -66.8 142.4 0.7 33.0 11.4 11 368 A K T 34 S+ 0 0 111 35,-0.4 4,-0.5 38,-0.4 3,-0.3 0.868 109.1 53.7 -59.5 -36.5 0.2 36.7 12.0 12 369 A S T 34 S+ 0 0 92 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.635 113.7 42.2 -73.6 -12.4 3.7 37.1 13.4 13 370 A R T <> S+ 0 0 28 -3,-1.8 4,-2.4 2,-0.1 5,-0.2 0.589 87.6 90.6-103.4 -15.5 5.3 35.5 10.2 14 371 A R H X S+ 0 0 57 -4,-1.3 4,-2.1 -3,-0.3 5,-0.2 0.883 87.6 46.7 -56.4 -46.3 3.2 37.1 7.5 15 372 A E H > S+ 0 0 133 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.925 112.1 50.2 -67.9 -41.2 5.5 40.2 6.9 16 373 A D H > S+ 0 0 99 -4,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.889 110.5 51.0 -56.8 -41.9 8.7 38.1 6.8 17 374 A L H <>S+ 0 0 6 -4,-2.4 5,-2.2 2,-0.2 6,-0.2 0.870 110.9 48.0 -66.7 -35.1 7.0 35.7 4.3 18 375 A E H ><5S+ 0 0 83 -4,-2.1 3,-1.3 -5,-0.2 -2,-0.2 0.913 111.4 49.9 -66.9 -45.5 6.0 38.7 2.1 19 376 A K H 3<5S+ 0 0 168 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.859 109.1 52.7 -62.6 -33.2 9.6 40.2 2.3 20 377 A A T 3<5S- 0 0 39 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.477 110.3-128.4 -79.6 -4.4 11.0 36.7 1.3 21 378 A Q T <>5 + 0 0 134 -3,-1.3 4,-2.8 -4,-0.2 5,-0.2 0.881 42.5 170.4 61.4 44.3 8.6 36.8 -1.7 22 379 A L H > S+ 0 0 26 1,-0.2 4,-2.3 -6,-0.2 -1,-0.2 0.934 111.5 42.0 -52.7 -51.5 4.4 33.7 -3.4 24 381 A E H > S+ 0 0 105 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.888 112.1 56.6 -67.6 -35.1 6.8 34.4 -6.3 25 382 A R H X S+ 0 0 94 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.937 111.4 43.9 -58.1 -45.4 9.2 31.7 -5.0 26 383 A X H X S+ 0 0 1 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.917 114.4 46.3 -66.0 -47.0 6.4 29.2 -5.2 27 384 A R H X S+ 0 0 60 -4,-2.3 4,-1.8 -5,-0.2 11,-0.3 0.922 115.3 48.1 -60.3 -43.6 5.0 30.1 -8.6 28 385 A S H X S+ 0 0 52 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.922 113.6 45.2 -66.1 -46.5 8.5 30.2 -10.1 29 386 A Q H X S+ 0 0 82 -4,-2.5 4,-2.8 -5,-0.3 5,-0.2 0.891 110.3 53.4 -67.8 -41.6 9.6 26.9 -8.7 30 387 A F H X S+ 0 0 20 -4,-2.3 4,-2.1 -5,-0.2 6,-0.7 0.883 109.9 49.1 -60.8 -39.5 6.4 25.1 -9.6 31 388 A F H X S+ 0 0 116 -4,-1.8 4,-2.3 3,-0.2 -1,-0.2 0.927 113.0 46.5 -65.2 -43.6 6.7 26.3 -13.2 32 389 A I H < S+ 0 0 124 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.910 118.4 41.2 -64.2 -43.6 10.3 25.2 -13.5 33 390 A D H < S+ 0 0 77 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.802 135.6 12.5 -74.5 -33.2 9.7 21.8 -11.9 34 391 A Y H < S- 0 0 121 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.540 86.3-125.0-124.9 -16.8 6.4 20.9 -13.6 35 392 A G S < S+ 0 0 50 -4,-2.3 2,-0.4 -5,-0.5 -4,-0.2 0.655 71.9 123.4 74.4 14.1 5.7 23.3 -16.5 36 393 A V - 0 0 81 -6,-0.7 2,-0.7 -5,-0.0 -1,-0.3 -0.905 61.4-129.6-114.3 142.6 2.4 24.2 -15.0 37 394 A R - 0 0 167 -2,-0.4 -9,-0.1 -3,-0.1 -10,-0.1 -0.815 18.3-149.1 -96.4 107.8 1.3 27.7 -14.1 38 395 A L - 0 0 7 -2,-0.7 3,-0.1 -11,-0.3 -7,-0.0 -0.398 22.8-115.0 -64.3 148.2 -0.0 28.1 -10.5 39 396 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -37,-0.1 -0.159 58.0 -57.3 -70.4-177.7 -2.6 30.8 -10.1 40 397 A E - 0 0 107 -39,-0.2 -35,-2.5 1,-0.1 2,-0.6 -0.292 52.7-140.2 -62.2 146.1 -1.8 33.7 -7.8 41 398 A V E -a 5 0A 9 -37,-0.2 2,-0.4 -3,-0.1 -35,-0.2 -0.967 19.5-168.4-112.6 119.0 -0.7 32.8 -4.3 42 399 A L E -a 6 0A 41 -37,-2.8 -35,-3.0 -2,-0.6 2,-0.4 -0.913 11.2-145.9-111.0 135.4 -2.1 35.1 -1.7 43 400 A L E +a 7 0A 4 -2,-0.4 2,-0.3 -37,-0.2 -35,-0.2 -0.796 20.9 178.1 -93.0 143.3 -1.0 35.1 2.0 44 401 A R E -a 8 0A 123 -37,-2.4 -35,-3.0 -2,-0.4 2,-0.3 -0.986 35.8-102.3-141.2 146.6 -3.6 36.0 4.7 45 402 A D E -a 9 0A 64 -2,-0.3 2,-0.7 -37,-0.2 -37,-0.1 -0.567 34.0-138.0 -67.2 130.3 -3.3 36.1 8.5 46 403 A G > - 0 0 5 -37,-3.0 3,-1.9 -2,-0.3 -35,-0.4 -0.822 16.1-129.2 -92.1 114.3 -4.8 33.0 10.1 47 404 A E T 3 S+ 0 0 138 -2,-0.7 3,-0.1 1,-0.3 -39,-0.0 -0.385 91.5 0.1 -61.4 125.8 -6.9 33.9 13.1 48 405 A G T 3 S+ 0 0 73 1,-0.3 2,-0.5 -2,-0.1 -1,-0.3 0.465 93.6 151.1 74.9 2.4 -5.8 31.7 16.1 49 406 A L < - 0 0 35 -3,-1.9 -38,-0.4 -40,-0.2 -1,-0.3 -0.530 41.0-134.5 -73.0 117.6 -3.3 30.1 13.9 50 407 A D > - 0 0 112 -2,-0.5 3,-1.0 1,-0.1 -1,-0.1 -0.153 32.9 -84.0 -64.2 168.0 -0.4 28.9 16.0 51 408 A D T 3 S+ 0 0 62 1,-0.2 -1,-0.1 -42,-0.1 3,-0.1 -0.259 113.3 29.3 -70.5 157.6 3.2 29.5 14.9 52 409 A N T 3 S+ 0 0 33 1,-0.2 16,-1.9 -3,-0.1 2,-0.4 0.668 97.6 112.0 68.6 16.8 4.7 27.0 12.5 53 410 A S E < - C 0 67A 15 -3,-1.0 2,-0.4 14,-0.2 14,-0.2 -0.962 41.2-177.6-125.5 137.2 1.3 26.2 10.9 54 411 A I E - C 0 66A 0 12,-2.1 12,-3.1 -2,-0.4 2,-0.5 -0.996 11.6-153.8-132.5 135.0 0.0 27.1 7.4 55 412 A V E -BC 8 65A 1 -47,-2.2 -47,-2.4 -2,-0.4 2,-0.6 -0.953 8.2-148.9-111.2 126.9 -3.4 26.4 5.9 56 413 A L E -BC 7 64A 0 8,-2.8 7,-3.2 -2,-0.5 8,-1.0 -0.872 16.7-173.9 -92.3 118.5 -3.9 26.0 2.1 57 414 A L E -BC 6 62A 15 -51,-3.0 -51,-2.8 -2,-0.6 2,-0.4 -0.940 8.6-173.7-107.6 138.5 -7.2 27.1 0.8 58 415 A I E > S-BC 5 61A 56 3,-2.4 3,-1.7 -2,-0.4 -53,-0.1 -0.996 81.8 -8.1-127.9 128.3 -8.4 26.6 -2.7 59 416 A N T 3 S- 0 0 105 -55,-0.7 -1,-0.1 -2,-0.4 3,-0.1 0.825 129.7 -61.2 54.0 36.8 -11.7 28.3 -3.7 60 417 A E T 3 S+ 0 0 152 1,-0.2 2,-0.4 -54,-0.0 -1,-0.3 0.544 112.8 120.2 65.7 15.8 -12.1 29.1 0.0 61 418 A I E < S-C 58 0A 108 -3,-1.7 -3,-2.4 0, 0.0 2,-0.3 -0.898 71.1-114.4-107.2 134.0 -12.1 25.3 0.9 62 419 A R E +C 57 0A 170 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.536 36.9 172.6 -66.3 129.6 -9.4 24.0 3.3 63 420 A V E - 0 0 52 -7,-3.2 2,-0.3 1,-0.4 -1,-0.2 0.800 59.5 -21.6-103.5 -48.6 -7.2 21.6 1.4 64 421 A E E -C 56 0A 67 -8,-1.0 -8,-2.8 2,-0.0 2,-0.5 -0.989 49.1-133.8-161.4 153.6 -4.4 20.8 3.8 65 422 A Q E -C 55 0A 81 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.977 24.8-158.0-116.0 128.9 -2.6 22.1 6.9 66 423 A F E -C 54 0A 5 -12,-3.1 -12,-2.1 -2,-0.5 2,-0.6 -0.814 11.8-148.8-106.2 148.6 1.2 22.1 7.0 67 424 A T E +C 53 0A 28 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.966 29.5 164.2-113.8 110.7 3.6 22.1 10.0 68 425 A V - 0 0 0 -16,-1.9 2,-1.1 -2,-0.6 3,-0.1 -0.999 34.4-138.0-131.3 127.2 6.7 24.0 8.9 69 426 A Y > - 0 0 53 -2,-0.4 3,-2.2 1,-0.2 51,-0.2 -0.742 15.0-163.4 -91.8 99.5 9.2 25.2 11.5 70 427 A F T 3 S+ 0 0 22 -2,-1.1 50,-0.3 1,-0.3 -1,-0.2 0.741 86.8 43.0 -55.3 -31.0 10.1 28.6 10.2 71 428 A D T 3 S+ 0 0 91 -3,-0.1 33,-0.4 49,-0.1 -1,-0.3 0.511 110.3 66.2 -97.9 2.5 13.2 29.0 12.3 72 429 A L S < S- 0 0 29 -3,-2.2 48,-0.6 31,-0.1 2,-0.4 -0.468 73.5-122.0-113.7-179.9 14.4 25.4 11.8 73 430 A X E -DE 102 119B 11 29,-2.7 29,-2.4 46,-0.2 2,-0.4 -0.982 23.0-124.2-124.2 135.8 15.8 23.3 9.0 74 431 A R E -DE 101 118B 32 44,-2.7 44,-2.0 -2,-0.4 2,-1.1 -0.678 13.4-138.8 -80.1 131.6 14.4 20.0 7.8 75 432 A V E > - E 0 117B 2 25,-3.1 3,-1.2 -2,-0.4 25,-0.4 -0.789 21.5-171.1 -86.4 96.3 16.8 17.0 7.8 76 433 A V T 3 S+ 0 0 47 40,-2.1 -1,-0.2 -2,-1.1 41,-0.1 0.882 82.3 33.6 -62.2 -45.9 15.6 15.5 4.5 77 434 A N T 3 S+ 0 0 74 39,-0.7 -1,-0.3 -3,-0.1 40,-0.1 -0.363 90.3 177.0-106.2 49.5 17.6 12.2 4.8 78 435 A Y < + 0 0 40 -3,-1.2 2,-0.3 -2,-0.1 -4,-0.0 -0.216 6.1 174.7 -55.8 137.8 17.3 11.9 8.6 79 436 A S > - 0 0 49 1,-0.0 3,-1.8 0, 0.0 4,-0.3 -0.957 44.9-107.4-137.6 159.5 18.7 8.9 10.4 80 437 A D T >> S+ 0 0 132 -2,-0.3 3,-1.1 1,-0.3 4,-0.7 0.663 107.6 81.0 -58.1 -19.7 19.0 8.1 14.1 81 438 A E H 3> S+ 0 0 120 1,-0.3 4,-0.9 2,-0.2 3,-0.4 0.788 75.9 74.4 -60.5 -28.0 22.8 8.7 14.0 82 439 A V H X4>S+ 0 0 0 -3,-1.8 5,-1.4 1,-0.2 3,-1.2 0.917 92.6 53.8 -47.3 -44.9 21.9 12.4 14.3 83 440 A V H X45S+ 0 0 68 -3,-1.1 3,-2.1 -4,-0.3 -1,-0.2 0.864 98.9 61.0 -63.6 -33.7 21.2 11.8 17.9 84 441 A S H 3<5S+ 0 0 82 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.707 98.3 60.1 -64.9 -20.8 24.6 10.2 18.5 85 442 A F T <<5S- 0 0 86 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.392 126.5-102.8 -83.9 2.5 26.0 13.6 17.4 86 443 A G T < 5S+ 0 0 61 -3,-2.1 2,-0.5 1,-0.3 -3,-0.2 0.675 83.2 127.1 85.6 18.7 24.2 15.2 20.4 87 444 A I < - 0 0 10 -5,-1.4 -1,-0.3 19,-0.0 -2,-0.2 -0.946 40.3-166.3-116.3 119.1 21.4 16.6 18.3 88 445 A N - 0 0 118 -2,-0.5 3,-0.0 -3,-0.1 -5,-0.0 -0.927 21.4-140.0-107.8 109.6 17.8 15.9 19.3 89 446 A P - 0 0 23 0, 0.0 2,-0.5 0, 0.0 13,-0.2 -0.241 13.0-116.0 -69.0 154.0 15.4 16.8 16.4 90 447 A T E -F 101 0B 56 11,-2.9 11,-2.5 -21,-0.0 2,-0.5 -0.830 40.7-151.7 -79.6 124.9 12.0 18.5 16.6 91 448 A I E -F 100 0B 81 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.887 16.4-169.9-111.4 131.5 9.7 15.8 15.3 92 449 A H E -F 99 0B 29 7,-2.8 7,-2.8 -2,-0.5 2,-0.5 -0.980 9.7-157.0-114.7 139.0 6.5 16.4 13.5 93 450 A Q E +F 98 0B 116 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.956 16.8 171.9-121.0 126.1 4.2 13.5 12.8 94 451 A Q E > -F 97 0B 67 3,-2.5 3,-1.8 -2,-0.5 2,-0.5 -0.935 67.0 -53.2-134.4 102.2 1.5 13.4 10.0 95 452 A G T 3 S- 0 0 79 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.534 121.4 -17.9 72.6-115.4 -0.1 9.9 9.6 96 453 A S T 3 S+ 0 0 121 -2,-0.5 2,-0.3 -3,-0.0 -1,-0.3 0.493 121.0 93.3 -96.3 -8.0 2.6 7.3 9.0 97 454 A S E < - F 0 94B 46 -3,-1.8 -3,-2.5 2,-0.0 2,-0.4 -0.694 55.8-160.9 -98.7 136.1 5.3 9.9 8.2 98 455 A Q E - F 0 93B 89 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.941 3.4-159.8-111.2 142.3 7.8 11.6 10.5 99 456 A Y E - F 0 92B 53 -7,-2.8 -7,-2.8 -2,-0.4 2,-0.5 -0.972 8.1-151.2-124.1 132.2 9.6 14.9 9.7 100 457 A F E - F 0 91B 27 -2,-0.4 -25,-3.1 -25,-0.4 2,-0.3 -0.892 13.5-176.1-115.4 125.8 12.8 15.9 11.5 101 458 A W E -DF 74 90B 2 -11,-2.5 -11,-2.9 -2,-0.5 2,-0.3 -0.926 2.5-179.7-126.5 147.0 13.9 19.4 12.1 102 459 A V E -D 73 0B 2 -29,-2.4 -29,-2.7 -2,-0.3 -15,-0.0 -0.859 34.5 -86.0-136.3 168.8 17.0 21.0 13.7 103 460 A T > - 0 0 56 -2,-0.3 4,-2.8 -31,-0.2 5,-0.2 -0.273 41.8-108.3 -71.3 159.4 18.4 24.4 14.4 104 461 A H H > S+ 0 0 105 -33,-0.4 4,-2.1 1,-0.2 5,-0.1 0.923 122.5 49.5 -53.4 -43.8 20.4 26.4 11.9 105 462 A E H > S+ 0 0 148 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.889 112.8 45.9 -66.8 -40.1 23.6 25.7 13.8 106 463 A E H > S+ 0 0 47 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.868 108.3 58.1 -66.0 -39.7 22.8 22.0 14.1 107 464 A G H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.907 103.7 52.2 -55.7 -46.4 22.0 22.0 10.3 108 465 A E H X S+ 0 0 100 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.917 110.0 48.1 -63.6 -38.9 25.4 23.2 9.5 109 466 A K H >< S+ 0 0 124 -4,-1.5 3,-1.3 1,-0.2 4,-0.2 0.964 112.3 48.9 -61.8 -51.0 27.1 20.5 11.5 110 467 A L H ><>S+ 0 0 0 -4,-2.8 3,-2.1 1,-0.3 5,-1.9 0.855 102.7 62.2 -60.3 -34.9 24.9 17.8 9.9 111 468 A R H ><5S+ 0 0 104 -4,-2.7 3,-0.7 1,-0.3 -1,-0.3 0.788 101.4 53.4 -60.0 -26.9 25.7 19.2 6.4 112 469 A E T <<5S+ 0 0 161 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.502 107.0 53.6 -83.9 -2.0 29.3 18.3 7.0 113 470 A X T < 5S- 0 0 104 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 -0.020 128.2 -83.0-127.1 25.8 28.4 14.7 7.9 114 471 A G T < 5S+ 0 0 60 -3,-0.7 2,-0.3 1,-0.3 -3,-0.2 0.531 84.4 130.8 93.3 10.9 26.4 13.7 4.8 115 472 A Y < - 0 0 21 -5,-1.9 2,-0.5 -6,-0.1 -1,-0.3 -0.718 48.2-139.0 -96.8 151.5 23.0 15.1 5.6 116 473 A V - 0 0 85 -2,-0.3 -40,-2.1 2,-0.0 -39,-0.7 -0.929 20.0-164.2-111.6 128.3 20.8 17.2 3.3 117 474 A L E -E 75 0B 12 -2,-0.5 2,-0.4 -42,-0.2 -42,-0.2 -0.867 8.3-162.3-116.9 145.3 18.9 20.1 4.8 118 475 A R E -E 74 0B 61 -44,-2.0 -44,-2.7 -2,-0.3 -2,-0.0 -0.990 21.2-128.7-125.9 131.8 16.0 22.1 3.5 119 476 A N E > -E 73 0B 57 -2,-0.4 4,-2.1 -46,-0.2 5,-0.2 -0.290 34.4 -99.3 -76.7 171.8 15.0 25.5 4.9 120 477 A A H > S+ 0 0 5 -48,-0.6 4,-2.7 -50,-0.3 5,-0.1 0.846 120.3 50.6 -62.1 -38.5 11.5 26.2 5.9 121 478 A L H > S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.897 111.3 48.7 -70.8 -36.7 10.4 28.0 2.8 122 479 A D H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.863 112.8 49.1 -67.0 -36.1 11.8 25.3 0.6 123 480 A E H X S+ 0 0 5 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.887 107.7 54.0 -71.9 -37.6 10.0 22.7 2.7 124 481 A L H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.945 110.0 47.6 -59.2 -46.2 6.7 24.7 2.5 125 482 A Y H X S+ 0 0 26 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.936 111.2 51.6 -56.6 -46.3 7.1 24.7 -1.3 126 483 A H H X S+ 0 0 62 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.937 108.0 51.6 -57.4 -45.0 7.8 21.0 -1.1 127 484 A C H X S+ 0 0 21 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.914 111.2 48.0 -60.0 -41.9 4.6 20.4 1.0 128 485 A L H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.956 112.3 48.0 -64.9 -49.7 2.5 22.3 -1.5 129 486 A A H X S+ 0 0 6 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.890 111.6 50.2 -60.7 -37.9 3.9 20.3 -4.5 130 487 A V H X S+ 0 0 72 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.930 112.9 46.8 -65.6 -42.7 3.4 17.0 -2.7 131 488 A T H X S+ 0 0 8 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.909 114.0 47.2 -65.8 -43.3 -0.3 18.0 -1.9 132 489 A L H X S+ 0 0 35 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.970 114.4 47.4 -65.6 -47.2 -0.9 19.1 -5.4 133 490 A A H X S+ 0 0 39 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.876 110.2 51.7 -62.0 -40.9 0.7 15.9 -6.8 134 491 A R H X S+ 0 0 95 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.906 110.2 49.6 -62.3 -42.1 -1.3 13.6 -4.5 135 492 A N H X S+ 0 0 70 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.905 109.9 50.2 -66.4 -40.8 -4.5 15.2 -5.5 136 493 A V H X S+ 0 0 79 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.923 109.2 51.9 -60.6 -45.6 -3.7 14.9 -9.2 137 494 A N H X S+ 0 0 119 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.926 111.8 46.3 -56.3 -45.5 -2.9 11.1 -8.7 138 495 A E H X S+ 0 0 104 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.849 108.9 55.2 -68.3 -38.0 -6.2 10.5 -7.0 139 496 A Y H X S+ 0 0 141 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.918 108.7 47.7 -57.4 -46.7 -8.1 12.4 -9.6 140 497 A F H X S+ 0 0 140 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.854 109.6 55.4 -62.5 -34.3 -6.6 10.2 -12.3 141 498 A G H X S+ 0 0 27 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.869 103.5 52.7 -65.2 -40.4 -7.5 7.2 -10.1 142 499 A I H X S+ 0 0 94 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.920 109.1 51.1 -61.1 -41.5 -11.1 8.3 -10.0 143 500 A Q H X S+ 0 0 62 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.905 107.6 51.9 -64.9 -41.2 -11.0 8.4 -13.8 144 501 A E H X S+ 0 0 116 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.905 109.4 50.7 -60.3 -42.9 -9.6 4.8 -14.0 145 502 A T H X S+ 0 0 79 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.903 108.0 51.6 -62.0 -41.4 -12.4 3.6 -11.8 146 503 A K H X S+ 0 0 128 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.911 109.6 51.3 -61.6 -38.5 -15.0 5.3 -14.0 147 504 A H H X S+ 0 0 103 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.895 107.4 51.8 -66.6 -38.8 -13.3 3.5 -17.0 148 505 A X H X S+ 0 0 120 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.897 108.1 50.9 -65.6 -38.9 -13.5 0.1 -15.2 149 506 A L H < S+ 0 0 113 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.748 111.0 51.1 -69.2 -23.7 -17.3 0.5 -14.5 150 507 A D H < S+ 0 0 126 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.880 114.7 40.9 -71.8 -43.6 -17.6 1.4 -18.2 151 508 A Q H < S+ 0 0 118 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.660 88.1 117.9 -80.5 -16.5 -15.7 -1.8 -19.3 152 509 A L < + 0 0 70 -4,-1.6 -3,-0.0 -5,-0.2 -4,-0.0 -0.300 28.4 166.4 -63.2 121.4 -17.4 -4.1 -16.7 153 510 A E + 0 0 185 -2,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.579 50.2 91.4-109.8 -15.0 -19.4 -6.8 -18.3 154 511 A A S S- 0 0 48 1,-0.1 2,-0.1 4,-0.1 -2,-0.0 -0.616 75.7-126.4 -78.7 140.9 -19.9 -9.0 -15.2 155 512 A K > - 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0 0 22 -5,-1.9 2,-0.5 -8,-0.1 -1,-0.3 -0.709 46.8-139.8 -91.6 149.6 -23.7 13.5 36.8 282 473 B V - 0 0 85 -2,-0.3 -40,-2.1 2,-0.0 -39,-0.7 -0.908 22.2-166.0-106.7 127.5 -21.7 15.6 39.2 283 474 B L E -K 241 0D 14 -2,-0.5 2,-0.4 -42,-0.2 -42,-0.2 -0.925 10.0-160.7-121.3 142.8 -20.0 18.6 37.6 284 475 B R E -K 240 0D 60 -44,-2.2 -44,-2.5 -2,-0.4 -2,-0.0 -0.984 21.3-126.2-120.9 132.3 -17.3 20.9 38.8 285 476 B N E > -K 239 0D 49 -2,-0.4 4,-2.7 -46,-0.2 -46,-0.2 -0.275 34.2-101.3 -70.1 166.7 -16.6 24.4 37.4 286 477 B A H > S+ 0 0 4 -48,-0.7 4,-2.4 -50,-0.3 5,-0.1 0.858 119.7 46.9 -60.0 -41.6 -13.1 25.2 36.1 287 478 B L H > S+ 0 0 21 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.853 113.3 48.6 -73.0 -31.1 -12.0 27.2 39.2 288 479 B D H > S+ 0 0 80 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.899 111.2 51.5 -70.0 -39.0 -13.3 24.6 41.6 289 480 B E H X S+ 0 0 6 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.900 107.2 53.2 -60.9 -44.1 -11.5 22.0 39.5 290 481 B L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.937 110.1 47.9 -56.5 -44.0 -8.2 24.1 39.7 291 482 B Y H X S+ 0 0 33 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.919 109.8 52.2 -62.7 -45.6 -8.6 24.1 43.5 292 483 B H H X S+ 0 0 60 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.924 106.7 54.0 -54.5 -44.1 -9.2 20.4 43.4 293 484 B C H X S+ 0 0 21 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.899 109.2 48.2 -60.0 -41.8 -6.0 19.9 41.3 294 485 B L H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.913 111.7 48.7 -60.8 -48.4 -3.9 21.8 43.9 295 486 B A H X S+ 0 0 24 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.890 111.9 49.9 -62.2 -36.9 -5.4 19.8 46.8 296 487 B V H X S+ 0 0 54 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.931 109.8 50.6 -67.3 -42.2 -4.7 16.6 44.9 297 488 B T H X S+ 0 0 5 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.914 112.7 46.8 -64.7 -41.4 -1.1 17.6 44.2 298 489 B L H X S+ 0 0 40 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.910 111.5 50.7 -68.6 -40.0 -0.5 18.4 47.9 299 490 B A H X S+ 0 0 52 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.896 110.9 48.7 -60.4 -45.4 -2.1 15.2 49.1 300 491 B R H X S+ 0 0 104 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.935 113.1 48.5 -62.0 -46.4 0.1 13.2 46.7 301 492 B N H X S+ 0 0 82 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.917 110.5 49.4 -60.5 -41.7 3.2 15.0 47.9 302 493 B V H X S+ 0 0 81 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.922 111.3 49.6 -63.9 -43.7 2.4 14.6 51.6 303 494 B N H X S+ 0 0 118 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.932 111.5 49.4 -61.5 -42.5 1.8 10.9 51.1 304 495 B E H X S+ 0 0 118 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.939 109.6 53.0 -62.0 -45.2 5.1 10.6 49.3 305 496 B Y H X S+ 0 0 136 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.893 108.5 47.0 -56.2 -46.2 6.8 12.5 52.1 306 497 B F H X S+ 0 0 141 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.881 109.3 57.7 -64.9 -35.4 5.5 10.1 54.8 307 498 B G H X S+ 0 0 21 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.903 105.6 48.7 -53.9 -50.0 6.6 7.3 52.5 308 499 B I H X S+ 0 0 85 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.918 110.3 51.5 -58.3 -44.1 10.2 8.6 52.6 309 500 B Q H X S+ 0 0 66 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.898 109.3 50.5 -62.4 -41.5 10.0 8.9 56.4 310 501 B E H X S+ 0 0 114 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.923 108.7 51.8 -58.6 -46.0 8.9 5.3 56.7 311 502 B T H X S+ 0 0 59 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.938 109.1 50.4 -57.9 -46.3 11.8 4.2 54.4 312 503 B K H X S+ 0 0 112 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.914 110.0 50.1 -57.7 -43.1 14.2 6.0 56.7 313 504 B H H X S+ 0 0 105 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.899 109.2 52.2 -63.8 -39.3 12.7 4.3 59.7 314 505 B X H X S+ 0 0 95 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.928 106.6 51.9 -63.9 -44.1 13.0 0.9 58.0 315 506 B L H < S+ 0 0 95 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.911 110.1 51.9 -59.2 -36.9 16.7 1.5 57.2 316 507 B D H < S+ 0 0 133 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.865 114.0 40.5 -65.5 -41.4 17.1 2.3 61.0 317 508 B Q H < S+ 0 0 123 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.632 87.6 120.8 -77.3 -18.1 15.5 -0.9 62.1 318 509 B L < + 0 0 64 -4,-1.7 -3,-0.0 -5,-0.2 -4,-0.0 -0.275 30.2 170.8 -57.5 122.9 17.2 -3.0 59.4 319 510 B E + 0 0 188 2,-0.1 2,-0.2 -2,-0.0 -1,-0.2 0.694 50.6 90.6 -99.1 -22.8 19.3 -5.8 61.0 320 511 B A S S- 0 0 50 1,-0.1 2,-0.1 2,-0.1 -2,-0.0 -0.476 80.1-116.0 -76.6 142.2 20.2 -7.7 57.8 321 512 B K > - 0 0 150 -2,-0.2 4,-2.8 1,-0.1 3,-0.3 -0.391 30.7-110.7 -67.6 148.7 23.3 -6.9 55.8 322 513 B F H > S+ 0 0 121 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.881 115.6 52.6 -54.2 -42.1 22.7 -5.5 52.2 323 514 B P H > S+ 0 0 97 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.935 113.2 44.5 -63.0 -39.7 24.0 -8.6 50.4 324 515 B D H > S+ 0 0 86 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.902 114.7 49.7 -67.2 -42.9 21.7 -10.9 52.5 325 516 B L H X S+ 0 0 50 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.924 111.0 48.3 -55.7 -53.0 18.7 -8.5 52.0 326 517 B L H X S+ 0 0 108 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.892 110.4 52.6 -61.2 -40.7 19.3 -8.3 48.2 327 518 B K H X S+ 0 0 123 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.881 109.9 47.6 -59.9 -44.0 19.5 -12.1 48.0 328 519 B E H X S+ 0 0 99 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.867 109.8 53.0 -65.6 -38.6 16.2 -12.6 49.9 329 520 B V H X S+ 0 0 88 -4,-2.3 4,-1.1 1,-0.2 3,-0.2 0.945 111.3 46.3 -62.7 -43.6 14.5 -10.0 47.7 330 521 B L H < S+ 0 0 137 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.855 109.1 56.2 -65.5 -38.1 15.6 -11.8 44.6 331 522 B R H < S+ 0 0 170 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.879 116.4 35.3 -59.1 -39.1 14.5 -15.1 46.0 332 523 B H H < S+ 0 0 134 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.472 91.5 116.7-100.4 -2.9 11.0 -13.9 46.6 333 524 B A < 0 0 49 -4,-1.1 -3,-0.0 -3,-0.3 -4,-0.0 -0.434 360.0 360.0 -77.1 141.2 10.5 -11.6 43.6 334 525 B T 0 0 197 -2,-0.2 -1,-0.2 0, 0.0 -4,-0.0 0.240 360.0 360.0 126.5 360.0 7.9 -12.1 40.8