==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE,TOXIN 31-OCT-09 3KI5 . COMPND 2 MOLECULE: CHOLIX TOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR R.JORGENSEN,P.R.EDWARDS,A.R.MERRILL . 199 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11045.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 16.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 15 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 19.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 2 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 0 2 0 0 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 . 1 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 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 1 423 A G 0 0 91 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-169.0 48.0 59.7 10.0 2 424 A S + 0 0 118 1,-0.2 2,-1.2 0, 0.0 0, 0.0 0.942 360.0 57.0 -66.0 -51.4 48.7 58.7 13.6 3 425 A H S S+ 0 0 130 16,-0.1 2,-0.3 12,-0.0 -1,-0.2 -0.728 79.6 136.5 -83.0 97.1 45.4 60.0 15.0 4 426 A M - 0 0 109 -2,-1.2 2,-0.1 10,-0.4 15,-0.0 -0.953 52.9-127.2-149.5 119.9 43.0 58.1 12.8 5 427 A A - 0 0 19 -2,-0.3 2,-0.5 163,-0.0 9,-0.2 -0.410 21.4-146.4 -61.0 140.6 39.8 56.3 13.8 6 428 A V E -A 13 0A 67 7,-2.5 7,-2.5 -2,-0.1 2,-0.7 -0.979 6.1-148.2-111.1 120.0 39.7 52.7 12.7 7 429 A I E +A 12 0A 23 -2,-0.5 5,-0.2 5,-0.2 92,-0.0 -0.819 25.8 170.4 -87.6 118.4 36.3 51.4 11.7 8 430 A T E > -A 11 0A 38 3,-2.7 3,-2.5 -2,-0.7 89,-0.2 -0.736 53.6 -95.4-115.4 169.2 35.9 47.7 12.5 9 431 A P T 3 S+ 0 0 60 0, 0.0 88,-2.9 0, 0.0 33,-0.2 0.778 129.2 57.2 -55.9 -24.5 32.8 45.5 12.4 10 432 A Q T 3 S- 0 0 103 1,-0.3 2,-0.2 86,-0.3 163,-0.1 0.147 120.9-111.1 -90.9 18.5 32.6 46.3 16.1 11 433 A G E < -A 8 0A 2 -3,-2.5 -3,-2.7 86,-0.4 -1,-0.3 -0.477 65.9 -1.2 92.6-158.0 32.5 50.0 15.3 12 434 A V E +A 7 0A 47 86,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.497 61.3 170.9 -78.3 132.5 35.0 52.8 15.8 13 435 A T E +A 6 0A 50 -7,-2.5 -7,-2.5 -2,-0.2 3,-0.0 -0.852 55.9 35.2-128.9 168.8 38.3 52.1 17.6 14 436 A N S S+ 0 0 117 -2,-0.3 -10,-0.4 -9,-0.2 2,-0.3 0.897 88.9 113.7 54.8 47.5 41.5 54.1 18.2 15 437 A W - 0 0 32 -3,-0.1 2,-0.2 -10,-0.1 -1,-0.1 -0.763 40.6-179.6-155.8 95.6 39.5 57.4 18.5 16 438 A T > - 0 0 73 -2,-0.3 4,-2.2 1,-0.1 3,-0.4 -0.586 42.8-109.2 -94.0 161.7 39.3 59.4 21.8 17 439 A Y H > S+ 0 0 50 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.869 119.5 59.6 -55.8 -38.9 37.4 62.6 22.3 18 440 A Q H > S+ 0 0 160 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.909 107.0 46.3 -57.8 -40.9 40.7 64.4 22.6 19 441 A E H > S+ 0 0 33 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.916 113.4 48.7 -65.4 -45.5 41.5 63.3 19.0 20 442 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.923 109.3 52.5 -58.5 -48.4 38.1 64.2 17.7 21 443 A E H X S+ 0 0 64 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.906 109.3 49.3 -57.5 -43.3 38.3 67.6 19.3 22 444 A A H X S+ 0 0 55 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.897 112.8 47.5 -62.9 -40.8 41.7 68.3 17.7 23 445 A T H X S+ 0 0 40 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.891 110.6 52.7 -66.1 -40.7 40.2 67.2 14.3 24 446 A H H X S+ 0 0 20 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.932 109.4 48.1 -60.7 -47.3 37.2 69.4 14.8 25 447 A Q H X S+ 0 0 63 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.863 111.5 50.2 -64.5 -35.6 39.3 72.5 15.5 26 448 A A H X S+ 0 0 38 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.908 111.3 48.8 -67.6 -40.8 41.4 71.8 12.4 27 449 A L H X>S+ 0 0 21 -4,-2.6 5,-2.3 2,-0.2 4,-0.5 0.911 109.7 52.5 -60.8 -41.5 38.3 71.5 10.3 28 450 A T H ><5S+ 0 0 60 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.918 107.7 51.1 -62.6 -43.2 37.0 74.7 11.8 29 451 A R H 3<5S+ 0 0 185 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.830 106.2 55.2 -61.2 -35.8 40.2 76.5 10.9 30 452 A E H 3<5S- 0 0 150 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.532 126.5-101.0 -75.3 -11.0 39.9 75.2 7.3 31 453 A G T <<5S+ 0 0 8 -3,-1.2 76,-2.8 -4,-0.5 2,-0.3 0.682 74.5 139.9 100.1 22.2 36.4 76.8 7.1 32 454 A Y E < -B 106 0B 66 -5,-2.3 2,-0.4 74,-0.2 -1,-0.3 -0.707 34.7-155.2 -95.5 151.3 34.2 73.8 7.7 33 455 A V E -B 105 0B 40 72,-2.7 72,-2.3 -2,-0.3 2,-0.2 -0.991 19.3-119.6-129.8 131.2 31.0 73.8 9.8 34 456 A F E +B 104 0B 11 -2,-0.4 70,-0.3 70,-0.2 3,-0.1 -0.477 32.4 171.4 -67.3 133.0 29.3 70.9 11.5 35 457 A V E - 0 0 0 68,-3.0 2,-0.3 1,-0.4 69,-0.2 0.515 52.8 -54.4-120.7 -11.3 25.8 70.3 10.3 36 458 A G E -B 103 0B 0 67,-1.1 67,-3.1 32,-0.1 -1,-0.4 -0.900 53.9 -71.1 157.3 172.8 24.7 67.0 11.9 37 459 A Y E -BC 102 67B 5 30,-3.1 30,-2.1 -2,-0.3 2,-0.5 -0.728 28.2-160.3 -90.9 144.5 25.2 63.3 12.6 38 460 A H E -B 101 0B 30 63,-2.4 63,-2.6 -2,-0.3 2,-0.4 -0.980 9.6-162.7-125.0 116.9 24.9 60.5 10.1 39 461 A G E +B 100 0B 6 -2,-0.5 2,-0.3 61,-0.2 61,-0.2 -0.823 26.1 136.4 -98.3 135.8 24.3 57.0 11.5 40 462 A T E -B 99 0B 20 59,-2.1 59,-2.7 -2,-0.4 134,-0.2 -0.902 52.8 -65.0-157.4-175.5 24.9 53.9 9.4 41 463 A N > - 0 0 46 -2,-0.3 4,-2.2 37,-0.2 5,-0.2 -0.368 51.8-105.0 -76.8 166.5 26.4 50.4 9.3 42 464 A H H > S+ 0 0 37 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.799 117.7 50.8 -66.3 -27.7 30.2 49.9 9.6 43 465 A V H > S+ 0 0 91 2,-0.2 4,-1.6 1,-0.2 3,-0.2 0.972 113.9 41.0 -72.2 -57.5 30.6 49.1 5.9 44 466 A A H > S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.827 111.2 60.5 -58.4 -32.2 28.7 52.1 4.5 45 467 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.920 102.4 50.3 -66.4 -42.2 30.4 54.3 7.2 46 468 A Q H X S+ 0 0 71 -4,-1.4 4,-2.0 -3,-0.2 -1,-0.2 0.901 109.8 51.3 -60.4 -42.3 33.9 53.4 5.8 47 469 A T H X S+ 0 0 88 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.920 110.9 47.7 -61.2 -43.8 32.8 54.4 2.3 48 470 A I H < S+ 0 0 27 -4,-2.2 118,-0.4 1,-0.2 -2,-0.2 0.882 109.7 52.2 -66.6 -39.4 31.4 57.8 3.5 49 471 A V H < S+ 0 0 48 -4,-2.3 -1,-0.2 1,-0.2 117,-0.2 0.893 110.5 49.9 -64.1 -38.5 34.6 58.6 5.5 50 472 A N H < S- 0 0 122 -4,-2.0 2,-0.3 1,-0.3 -2,-0.2 0.951 136.5 -28.7 -62.3 -51.9 36.6 57.8 2.3 51 473 A R < - 0 0 176 -4,-2.4 2,-0.6 -5,-0.1 -1,-0.3 -0.864 57.1-121.2-169.0 133.2 34.5 60.1 0.1 52 474 A I + 0 0 9 112,-0.4 -4,-0.1 -2,-0.3 112,-0.1 -0.711 46.7 161.6 -79.9 119.5 30.9 61.3 0.1 53 475 A A - 0 0 35 -2,-0.6 -2,-0.1 108,-0.0 105,-0.0 -0.984 43.7 -88.9-141.5 145.9 29.4 60.1 -3.2 54 476 A P 0 0 80 0, 0.0 10,-0.0 0, 0.0 8,-0.0 -0.158 360.0 360.0 -58.0 155.2 25.8 59.7 -4.4 55 477 A V 0 0 163 8,-0.0 9,-0.0 0, 0.0 7,-0.0 0.980 360.0 360.0 -89.3 360.0 24.2 56.3 -3.9 56 ! 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 57 485 A N > 0 0 148 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -34.2 9.4 58.6 -4.3 58 486 A E T 4 + 0 0 173 2,-0.2 0, 0.0 1,-0.2 0, 0.0 0.769 360.0 55.4 -72.3 -29.9 12.8 58.1 -2.7 59 487 A E T >4 S+ 0 0 161 1,-0.2 3,-1.8 2,-0.2 -1,-0.2 0.898 103.6 55.1 -69.5 -42.6 14.8 59.5 -5.6 60 488 A K T 34 S+ 0 0 70 1,-0.3 77,-0.4 75,-0.1 -2,-0.2 0.867 114.3 41.4 -52.9 -39.9 12.8 62.7 -5.4 61 489 A W T 3< S+ 0 0 32 -4,-1.1 -1,-0.3 75,-0.1 -2,-0.2 0.109 91.1 143.3 -98.0 21.6 13.9 62.9 -1.8 62 490 A G < + 0 0 17 -3,-1.8 75,-0.4 -5,-0.1 2,-0.3 -0.266 20.6 88.8 -67.1 148.7 17.5 61.8 -2.6 63 491 A G S S- 0 0 13 94,-0.2 2,-0.6 73,-0.1 94,-0.2 -0.898 80.9 -54.9 153.2-178.7 20.5 63.2 -0.7 64 492 A L E -E 156 0C 6 92,-2.6 92,-2.8 -2,-0.3 2,-0.4 -0.828 53.5-146.5 -92.1 120.9 22.7 62.6 2.3 65 493 A Y E +E 155 0C 77 -2,-0.6 2,-0.3 90,-0.2 90,-0.2 -0.737 24.8 165.6 -93.5 132.2 20.5 62.6 5.5 66 494 A V E -E 154 0C 6 88,-2.4 88,-2.8 -2,-0.4 2,-0.4 -0.899 18.9-151.9-134.5 165.0 21.9 64.0 8.8 67 495 A A B -C 37 0B 3 -30,-2.1 -30,-3.1 -2,-0.3 86,-0.1 -0.998 15.3-150.3-140.1 140.1 20.3 65.0 12.1 68 496 A T S S+ 0 0 24 -2,-0.4 2,-0.8 -32,-0.2 -1,-0.1 0.768 89.1 73.0 -77.2 -26.1 21.4 67.5 14.7 69 497 A H S >> S- 0 0 80 83,-0.3 3,-1.4 1,-0.2 4,-0.9 -0.825 81.1-147.2 -89.4 112.8 19.8 65.4 17.5 70 498 A A H 3> S+ 0 0 5 -2,-0.8 4,-2.6 1,-0.3 3,-0.2 0.814 90.5 64.4 -53.9 -36.0 22.2 62.5 17.9 71 499 A E H 3> S+ 0 0 82 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.843 97.3 57.8 -61.5 -32.2 19.5 59.9 18.8 72 500 A V H <4 S+ 0 0 33 -3,-1.4 4,-0.5 1,-0.2 3,-0.3 0.952 110.7 41.8 -59.9 -49.8 17.9 60.3 15.4 73 501 A A H >< S+ 0 0 5 -4,-0.9 3,-1.6 1,-0.2 4,-0.4 0.889 108.9 60.3 -62.9 -39.5 21.1 59.3 13.7 74 502 A H H >< S+ 0 0 3 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.838 93.5 65.1 -61.4 -33.5 21.7 56.6 16.2 75 503 A G T 3< S+ 0 0 29 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.788 108.5 41.1 -56.0 -26.4 18.4 54.9 15.2 76 504 A Y T < S+ 0 0 162 -3,-1.6 2,-2.1 -4,-0.5 -1,-0.3 0.436 85.4 101.6 -99.6 -4.5 20.0 54.3 11.8 77 505 A A S < S+ 0 0 0 -3,-1.3 97,-2.0 -4,-0.4 21,-0.8 -0.363 72.4 69.8 -87.9 62.4 23.5 53.3 13.0 78 506 A R S S- 0 0 47 -2,-2.1 2,-0.4 19,-0.1 -37,-0.2 -0.986 88.5 -92.0-164.5 157.3 23.0 49.6 12.5 79 507 A I - 0 0 35 -2,-0.3 3,-0.1 14,-0.2 19,-0.1 -0.692 36.3-172.4 -72.0 135.1 22.6 46.7 10.1 80 508 A K + 0 0 164 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.535 61.3 55.9-111.1 -9.6 18.8 46.3 9.6 81 509 A E S S- 0 0 141 7,-0.0 2,-0.2 12,-0.0 -1,-0.2 -0.990 70.0-141.3-130.9 127.4 18.6 43.1 7.6 82 510 A G - 0 0 8 5,-0.6 6,-0.1 -2,-0.4 5,-0.0 -0.604 3.9-160.0 -81.3 146.6 20.1 39.7 8.4 83 511 A T + 0 0 104 -2,-0.2 3,-0.1 4,-0.1 -1,-0.1 0.272 59.2 101.0-112.2 7.8 21.6 37.7 5.6 84 512 A G S > S- 0 0 25 4,-2.5 3,-1.4 1,-0.2 4,-0.1 -0.183 91.8 -56.6 -74.8-179.8 21.4 34.2 7.2 85 513 A E G > S+ 0 0 138 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 -0.332 124.2 8.8 -63.8 140.7 18.7 31.7 6.3 86 514 A Y G 3 S- 0 0 212 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.1 0.635 132.7 -63.1 66.1 18.0 15.1 33.0 6.8 87 515 A G G < S+ 0 0 38 -3,-1.4 -5,-0.6 1,-0.3 -1,-0.3 0.610 93.9 146.3 82.2 14.3 16.2 36.5 7.4 88 516 A L < - 0 0 108 -3,-1.6 -4,-2.5 -4,-0.1 -1,-0.3 -0.589 52.2-114.5 -74.6 143.2 18.2 35.6 10.6 89 517 A P - 0 0 23 0, 0.0 -7,-0.1 0, 0.0 2,-0.1 -0.522 27.9-120.1 -72.2 147.5 21.3 37.6 11.2 90 518 A T > - 0 0 55 -2,-0.2 4,-1.8 -6,-0.1 5,-0.2 -0.360 31.6-102.1 -72.9 168.6 24.6 35.8 11.0 91 519 A R H > S+ 0 0 163 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.909 125.8 52.1 -58.4 -44.9 26.8 35.8 14.2 92 520 A A H > S+ 0 0 70 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.874 108.3 51.7 -58.5 -38.5 29.0 38.4 12.6 93 521 A E H 4 S+ 0 0 27 1,-0.2 83,-0.5 2,-0.2 -14,-0.2 0.836 111.0 47.5 -68.6 -33.2 25.9 40.5 11.9 94 522 A R H < S+ 0 0 108 -4,-1.8 83,-0.3 1,-0.2 -2,-0.2 0.867 112.9 47.2 -72.5 -39.2 24.8 40.3 15.5 95 523 A D H < S+ 0 0 53 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.620 94.3 104.0 -79.3 -14.2 28.2 41.2 17.0 96 524 A A < - 0 0 4 -4,-0.9 2,-0.4 -5,-0.2 80,-0.4 -0.231 55.9-156.4 -64.8 156.0 28.5 44.1 14.6 97 525 A R - 0 0 88 -88,-2.9 -86,-0.4 -89,-0.2 78,-0.2 -0.996 13.4-126.8-132.3 140.8 28.1 47.7 15.7 98 526 A G - 0 0 2 76,-2.5 75,-0.7 -21,-0.8 2,-0.4 -0.035 24.5-117.8 -70.8-176.4 27.1 50.6 13.5 99 527 A V E -BD 40 172B 1 -59,-2.7 -59,-2.1 -88,-0.1 2,-0.5 -0.990 6.9-143.6-133.0 134.7 29.0 53.9 13.3 100 528 A M E -B 39 0B 1 71,-0.6 69,-3.1 -2,-0.4 2,-0.3 -0.873 24.4-166.7 -92.6 124.3 28.1 57.5 14.1 101 529 A L E -BD 38 168B 0 -63,-2.6 -63,-2.4 -2,-0.5 2,-0.5 -0.835 16.0-139.2-110.8 151.7 29.6 60.0 11.7 102 530 A R E -BD 37 167B 0 65,-3.1 65,-2.4 -2,-0.3 2,-0.5 -0.950 19.6-150.5-107.1 127.5 29.9 63.8 12.0 103 531 A V E -BD 36 166B 0 -67,-3.1 -68,-3.0 -2,-0.5 -67,-1.1 -0.859 13.7-174.9-106.3 129.9 29.2 65.7 8.7 104 532 A Y E -BD 34 165B 0 61,-2.7 61,-2.3 -2,-0.5 -70,-0.2 -0.939 4.3-164.6-120.6 143.4 30.8 69.1 7.9 105 533 A I E -B 33 0B 0 -72,-2.3 -72,-2.7 -2,-0.4 59,-0.1 -0.887 36.4 -92.3-122.1 155.5 30.3 71.4 5.0 106 534 A P E > -B 32 0B 36 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.454 42.1-118.2 -60.8 140.4 32.3 74.4 3.7 107 535 A R G > S+ 0 0 170 -76,-2.8 3,-2.0 1,-0.3 4,-0.2 0.818 111.2 64.8 -54.3 -35.0 31.0 77.5 5.4 108 536 A A G > S+ 0 0 70 1,-0.3 3,-1.6 -77,-0.2 -1,-0.3 0.812 89.7 68.4 -59.0 -26.3 29.9 79.1 2.0 109 537 A S G X S+ 0 0 9 -3,-2.0 3,-1.6 1,-0.3 -1,-0.3 0.679 78.4 79.5 -68.7 -15.7 27.4 76.2 1.6 110 538 A L G X S+ 0 0 26 -3,-2.0 3,-1.6 -4,-0.3 -1,-0.3 0.728 74.7 77.7 -63.1 -18.4 25.4 77.7 4.5 111 539 A E G < S+ 0 0 135 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.764 104.1 33.6 -63.2 -23.6 24.0 80.2 2.0 112 540 A R G < S+ 0 0 72 -3,-1.6 29,-2.3 -4,-0.2 2,-0.7 -0.212 87.0 117.3-123.3 38.9 21.7 77.5 0.7 113 541 A F E < -f 141 0C 0 -3,-1.6 86,-2.6 27,-0.2 29,-0.2 -0.860 48.3-176.4-111.7 93.9 21.1 75.6 4.0 114 542 A Y E -fg 142 199C 46 27,-2.6 29,-1.7 -2,-0.7 2,-0.3 -0.484 16.5-166.8 -99.8 159.5 17.3 76.0 4.5 115 543 A R E -f 143 0C 33 84,-1.9 2,-0.3 27,-0.2 29,-0.2 -0.995 3.5-175.4-142.4 146.8 14.9 75.1 7.2 116 544 A T - 0 0 11 27,-2.3 4,-0.1 -2,-0.3 7,-0.0 -0.948 27.5-140.3-130.0 154.0 11.1 74.9 7.5 117 545 A N S S+ 0 0 112 -2,-0.3 27,-0.1 27,-0.2 3,-0.1 0.523 78.7 100.6 -85.9 -9.8 8.8 74.1 10.5 118 546 A T S S- 0 0 58 1,-0.1 -2,-0.2 2,-0.1 5,-0.1 -0.608 95.6 -96.2 -73.3 132.3 6.5 72.1 8.2 119 547 A P > - 0 0 24 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.275 40.8-120.1 -47.5 132.0 7.2 68.4 8.4 120 548 A L G > S+ 0 0 1 25,-2.3 3,-1.9 1,-0.3 7,-0.1 0.853 108.6 53.2 -53.2 -46.6 9.6 67.7 5.6 121 549 A E G 3 S+ 0 0 97 1,-0.3 -1,-0.3 25,-0.2 3,-0.3 0.645 112.0 48.1 -63.2 -16.4 7.4 65.2 3.6 122 550 A N G < S+ 0 0 117 -3,-2.0 -1,-0.3 1,-0.1 3,-0.2 0.336 99.3 70.8-102.4 5.3 4.5 67.7 3.6 123 551 A A <> + 0 0 2 -3,-1.9 4,-2.9 -4,-0.3 5,-0.2 0.211 54.5 117.6-110.7 13.4 6.7 70.7 2.5 124 552 A E H > S+ 0 0 68 -3,-0.3 4,-2.7 1,-0.2 5,-0.2 0.877 79.0 48.3 -49.7 -49.0 7.4 69.8 -1.2 125 553 A E H > S+ 0 0 158 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.913 114.1 46.5 -60.7 -43.9 5.7 72.9 -2.6 126 554 A H H > S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.916 112.7 50.5 -63.3 -44.8 7.4 75.2 -0.1 127 555 A I H X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.932 111.8 46.3 -61.6 -46.2 10.8 73.6 -0.8 128 556 A T H X>S+ 0 0 35 -4,-2.7 4,-1.9 1,-0.2 5,-0.6 0.883 112.2 51.5 -66.8 -36.0 10.4 73.9 -4.6 129 557 A Q H <5S+ 0 0 156 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.894 113.9 44.8 -63.5 -41.1 9.3 77.5 -4.2 130 558 A V H <5S+ 0 0 55 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.919 119.5 38.7 -70.7 -45.7 12.4 78.3 -2.1 131 559 A I H <5S- 0 0 20 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.660 103.1-128.2 -84.0 -17.3 15.0 76.5 -4.3 132 560 A G T <5S+ 0 0 69 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.2 0.599 77.2 60.9 82.5 14.0 13.4 77.6 -7.6 133 561 A H S S- 0 0 43 4,-0.4 3,-3.0 -27,-0.1 -1,-0.3 -0.957 101.9 -69.6-153.9 163.7 7.2 64.3 11.6 148 576 A A T 3 S+ 0 0 88 1,-0.3 3,-0.1 -2,-0.3 -30,-0.1 -0.388 127.3 10.5 -57.8 127.6 4.9 66.7 13.4 149 577 A G T 3 S+ 0 0 92 1,-0.3 -1,-0.3 -2,-0.1 2,-0.1 0.386 111.7 122.2 81.1 -3.4 6.2 67.1 17.0 150 578 A G < - 0 0 24 -3,-3.0 -1,-0.3 1,-0.2 2,-0.1 -0.297 69.1 -91.3 -89.9 171.1 9.4 65.2 15.9 151 579 A E - 0 0 97 1,-0.1 -5,-2.9 -6,-0.1 -4,-0.4 -0.321 53.3 -90.9 -70.6 161.6 13.0 66.0 15.8 152 580 A D E - H 0 145C 14 -7,-0.3 2,-0.3 -6,-0.1 -83,-0.3 -0.324 34.7-167.1 -70.1 154.9 14.6 67.6 12.8 153 581 A E E - H 0 144C 35 -9,-2.3 -9,-2.0 -86,-0.1 2,-0.4 -0.966 9.2-149.0-133.7 151.4 16.2 65.8 9.9 154 582 A T E -EH 66 143C 0 -88,-2.8 -88,-2.4 -2,-0.3 2,-0.6 -0.986 2.7-159.1-121.3 128.3 18.3 67.4 7.2 155 583 A V E -EH 65 142C 3 -13,-3.0 -13,-2.3 -2,-0.4 2,-0.6 -0.949 9.9-159.6-104.8 117.3 18.5 66.3 3.6 156 584 A I E -EH 64 141C 0 -92,-2.8 -92,-2.6 -2,-0.6 -15,-0.2 -0.881 22.4-124.1 -96.5 114.3 21.7 67.5 1.9 157 585 A G >> - 0 0 0 -17,-2.6 4,-2.8 -2,-0.6 3,-1.0 -0.238 22.9-115.0 -57.3 148.9 21.3 67.5 -1.9 158 586 A W H 3> S+ 0 0 47 -21,-0.6 4,-2.2 1,-0.3 5,-0.2 0.862 113.3 59.3 -59.4 -38.1 24.1 65.4 -3.6 159 587 A D H 34 S+ 0 0 83 -21,-0.3 -20,-0.3 -22,-0.3 -1,-0.3 0.809 115.5 36.7 -60.8 -29.8 25.6 68.4 -5.4 160 588 A M H X4 S+ 0 0 0 -3,-1.0 3,-2.0 -22,-1.0 -2,-0.2 0.871 112.4 58.6 -81.3 -45.1 26.3 70.0 -2.0 161 589 A A H >< S+ 0 0 0 -4,-2.8 3,-2.2 1,-0.3 -2,-0.2 0.795 91.3 68.2 -60.1 -31.7 27.1 66.8 -0.2 162 590 A I T 3< S+ 0 0 82 -4,-2.2 -1,-0.3 1,-0.3 -110,-0.2 0.662 100.3 52.0 -63.6 -13.9 30.0 65.9 -2.5 163 591 A H T < S+ 0 0 94 -3,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.383 94.6 97.5 -99.2 -0.2 31.8 68.9 -0.9 164 592 A A < - 0 0 12 -3,-2.2 -112,-0.4 -4,-0.2 2,-0.4 -0.348 63.0-141.8 -85.4 167.4 31.2 67.7 2.6 165 593 A V E -D 104 0B 44 -61,-2.3 -61,-2.7 -2,-0.1 2,-0.5 -0.997 8.2-156.0-130.7 136.4 33.5 65.8 4.9 166 594 A A E +D 103 0B 6 -118,-0.4 -63,-0.2 -2,-0.4 -129,-0.0 -0.944 13.3 176.9-115.3 131.5 32.5 63.0 7.3 167 595 A I E -D 102 0B 18 -65,-2.4 -65,-3.1 -2,-0.5 -2,-0.0 -0.982 37.0 -95.1-127.8 145.9 34.6 62.1 10.4 168 596 A P E -D 101 0B 11 0, 0.0 -67,-0.3 0, 0.0 2,-0.1 -0.249 32.3-139.3 -60.4 144.3 33.7 59.5 13.1 169 597 A S E - 0 0 2 -69,-3.1 -69,-0.2 2,-0.2 -157,-0.1 -0.434 15.1-129.1 -82.6 166.8 31.9 60.5 16.3 170 598 A T E S+ 0 0 36 15,-0.2 -153,-0.1 -2,-0.1 16,-0.1 0.428 79.7 108.4 -91.9 -5.1 32.9 59.1 19.7 171 599 A I E S- 0 0 4 14,-0.1 -71,-0.6 -71,-0.1 -2,-0.2 -0.630 79.5-116.8 -69.7 120.8 29.3 58.2 20.3 172 600 A P E -D 99 0B 67 0, 0.0 10,-0.3 0, 0.0 -73,-0.1 -0.178 29.6-115.9 -57.4 150.4 29.0 54.4 20.0 173 601 A G - 0 0 12 -75,-0.7 -95,-0.1 1,-0.1 -74,-0.1 -0.081 24.1-108.6 -76.9-178.7 26.9 53.0 17.2 174 602 A N - 0 0 4 -97,-2.0 -76,-2.5 -134,-0.2 2,-0.3 -0.151 30.4-133.4 -95.2-165.8 23.7 50.9 17.4 175 603 A A - 0 0 4 -78,-0.2 4,-0.1 4,-0.1 -78,-0.1 -0.962 30.1 -97.2-149.6 163.4 23.2 47.2 16.6 176 604 A Y S S+ 0 0 55 -83,-0.5 2,-0.8 -80,-0.4 -82,-0.1 0.911 125.6 49.9 -49.5 -46.4 20.9 44.8 14.8 177 605 A E S S- 0 0 138 -83,-0.3 -1,-0.2 -3,-0.1 -97,-0.0 -0.883 115.7-110.3 -94.5 113.0 19.4 44.2 18.2 178 606 A E - 0 0 138 -2,-0.8 2,-0.3 -4,-0.1 -2,-0.1 -0.047 35.6-169.5 -61.6 139.9 18.8 47.8 19.3 179 607 A L - 0 0 83 -4,-0.1 2,-0.2 3,-0.0 -4,-0.1 -0.857 28.5-103.7-118.7 153.6 20.7 49.5 22.1 180 608 A A - 0 0 98 -2,-0.3 -109,-0.0 1,-0.1 0, 0.0 -0.558 43.8 -99.9 -76.3 145.2 20.1 52.8 23.8 181 609 A I - 0 0 17 -2,-0.2 2,-1.1 1,-0.1 -1,-0.1 -0.279 33.5-112.3 -60.8 145.4 22.3 55.8 22.9 182 610 A D > - 0 0 67 -10,-0.3 4,-1.7 1,-0.2 3,-0.4 -0.738 29.4-169.5 -83.4 99.5 25.2 56.6 25.3 183 611 A E H > S+ 0 0 132 -2,-1.1 4,-2.6 1,-0.2 -1,-0.2 0.797 82.9 60.5 -61.4 -33.2 24.0 60.0 26.7 184 612 A E H > S+ 0 0 154 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.906 106.1 47.5 -61.7 -41.9 27.5 60.6 28.4 185 613 A A H > S+ 0 0 11 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.878 110.2 51.7 -66.8 -40.4 29.1 60.4 24.9 186 614 A V H X S+ 0 0 36 -4,-1.7 4,-0.7 1,-0.2 3,-0.2 0.944 111.4 48.6 -58.5 -47.1 26.5 62.8 23.5 187 615 A A H >< S+ 0 0 58 -4,-2.6 3,-1.0 1,-0.2 4,-0.5 0.901 106.0 55.9 -62.7 -41.4 27.2 65.2 26.3 188 616 A K H 3< S+ 0 0 128 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.886 115.3 39.0 -58.3 -38.1 30.9 65.0 25.9 189 617 A E H >< S+ 0 0 0 -4,-1.6 3,-1.0 -3,-0.2 -1,-0.2 0.443 88.7 100.1 -88.5 -3.9 30.5 66.1 22.2 190 618 A Q G X< S+ 0 0 140 -3,-1.0 3,-1.9 -4,-0.7 -1,-0.2 0.871 75.3 55.6 -54.4 -47.2 27.7 68.7 22.8 191 619 A S G 3 S+ 0 0 92 -4,-0.5 3,-0.3 -3,-0.3 -1,-0.2 0.753 112.7 42.1 -63.8 -25.6 29.9 71.8 22.8 192 620 A I G < S+ 0 0 11 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.181 108.7 64.3-102.2 16.9 31.3 71.0 19.3 193 621 A S < + 0 0 14 -3,-1.9 -1,-0.2 -4,-0.1 -2,-0.1 -0.014 64.0 146.4-133.9 31.0 27.9 69.9 17.9 194 622 A T - 0 0 100 -3,-0.3 -3,-0.0 1,-0.1 -160,-0.0 -0.322 59.5 -90.4 -67.9 152.5 25.6 73.0 18.0 195 623 A K - 0 0 133 1,-0.1 -1,-0.1 3,-0.0 -160,-0.1 -0.380 44.7-120.9 -61.2 138.8 23.0 73.3 15.3 196 624 A P - 0 0 8 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.324 37.2 -87.3 -71.4 162.4 24.2 75.3 12.2 197 625 A P - 0 0 88 0, 0.0 2,-0.3 0, 0.0 -84,-0.1 -0.503 47.2-153.0 -70.0 143.8 22.5 78.5 11.2 198 626 A Y - 0 0 43 -2,-0.2 2,-0.8 -3,-0.1 -84,-0.2 -0.876 19.5-123.8-116.1 151.5 19.6 78.0 8.8 199 627 A K B g 114 0C 109 -86,-2.6 -84,-1.9 -2,-0.3 -88,-0.0 -0.858 360.0 360.0 -89.1 108.7 18.0 80.2 6.2 200 628 A E 0 0 135 -2,-0.8 -1,-0.2 -86,-0.2 -83,-0.1 0.499 360.0 360.0-140.9 360.0 14.4 80.3 7.4