==== 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 TOXIN 26-JAN-09 3FZY . COMPND 2 MOLECULE: RTX TOXIN RTXA; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR L.SHUVALOVA,G.MINASOV,K.PROCHAZKOVA,K.J.F.SATCHELL,W.F.ANDER . 427 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18872.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 302 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 52 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 18.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0 0 1 0 0 0 0 3 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 0 4 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 PARALLEL BRIDGES PER LADDER . 3 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 3 0 0 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 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 -8 A E > 0 0 87 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -61.8 -0.5 24.9 20.4 2 -7 A N H > + 0 0 75 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.818 360.0 64.2 -60.8 -29.6 -1.1 21.1 19.8 3 -6 A L H > S+ 0 0 142 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.958 102.4 46.9 -53.1 -53.3 1.1 21.7 16.7 4 -5 A Y H > S+ 0 0 47 1,-0.2 4,-1.5 -3,-0.2 -2,-0.2 0.909 114.3 47.7 -58.8 -44.3 4.0 22.6 19.1 5 -4 A F H < S+ 0 0 23 -4,-1.8 4,-0.3 2,-0.2 -2,-0.2 0.930 111.4 44.9 -69.8 -47.1 3.4 19.6 21.3 6 -3 A Q H >< S+ 0 0 87 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.891 113.2 53.8 -64.5 -34.4 3.1 16.8 18.7 7 -2 A S H 3< S+ 0 0 88 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.859 116.1 39.7 -63.5 -33.3 6.2 18.3 17.0 8 -1 A N T 3< S+ 0 0 19 -4,-1.5 179,-0.4 -5,-0.2 -1,-0.2 0.241 82.7 136.2-101.3 12.2 7.9 18.0 20.4 9 0 A A < - 0 0 10 -3,-1.0 2,-1.2 -4,-0.3 177,-0.2 -0.374 57.8-128.5 -61.0 137.8 6.5 14.6 21.5 10 3428 A L S S+ 0 0 0 175,-2.8 140,-3.0 -2,-0.1 92,-2.3 -0.345 72.6 94.0 -94.7 53.7 9.4 12.4 23.0 11 3429 A A B S+a 102 0A 15 -2,-1.2 92,-0.2 90,-0.3 90,-0.1 -0.978 80.0 3.1-136.4 148.3 8.9 9.3 20.9 12 3430 A D - 0 0 104 90,-2.1 2,-0.2 -2,-0.3 91,-0.1 0.727 57.9-172.3 55.0 43.2 10.3 7.9 17.7 13 3431 A G - 0 0 10 89,-0.1 -1,-0.2 1,-0.1 88,-0.0 -0.509 27.3-131.2 -60.4 129.3 13.0 10.4 16.6 14 3432 A K S S+ 0 0 206 -2,-0.2 2,-0.6 1,-0.1 -1,-0.1 0.849 89.7 48.2 -59.4 -40.3 13.9 9.0 13.2 15 3433 A I S S- 0 0 53 2,-0.1 2,-0.6 35,-0.0 -1,-0.1 -0.909 74.7-153.2-107.2 113.2 17.7 9.1 13.6 16 3434 A L + 0 0 39 -2,-0.6 2,-0.4 33,-0.1 216,-0.2 -0.750 19.8 172.4 -83.1 120.7 19.0 7.5 16.8 17 3435 A H + 0 0 0 -2,-0.6 33,-3.2 1,-0.1 -2,-0.1 -0.844 22.0 136.5-131.8 97.1 22.3 9.1 17.7 18 3436 A N + 0 0 10 -2,-0.4 58,-2.3 31,-0.2 59,-0.2 0.392 47.8 95.0-118.1 -1.2 23.6 8.0 21.1 19 3437 A Q S S+ 0 0 19 56,-0.2 4,-0.2 1,-0.2 210,-0.1 -0.509 79.3 12.3 -89.6 155.3 27.3 7.4 20.2 20 3438 A N > - 0 0 21 208,-0.2 3,-2.6 -2,-0.2 4,-0.2 0.897 60.0-153.5 49.1 77.8 30.3 9.8 20.5 21 3439 A V G > S+ 0 0 4 1,-0.3 3,-2.1 2,-0.2 -1,-0.1 0.770 89.6 69.0 -51.3 -34.8 29.2 12.8 22.7 22 3440 A N G 3 S+ 0 0 131 1,-0.3 -1,-0.3 58,-0.0 -2,-0.1 0.761 97.1 53.9 -58.3 -22.3 31.9 15.1 21.0 23 3441 A S G < S+ 0 0 23 -3,-2.6 -1,-0.3 -4,-0.2 -2,-0.2 0.372 87.8 109.9 -92.9 3.1 29.8 14.9 17.8 24 3442 A W S < S- 0 0 10 -3,-2.1 49,-0.0 -4,-0.2 -6,-0.0 -0.478 74.3-106.8 -80.8 152.9 26.6 16.0 19.4 25 3443 A G - 0 0 28 -2,-0.1 -1,-0.1 1,-0.1 26,-0.1 -0.371 37.7-111.7 -72.2 152.9 25.0 19.4 18.8 26 3444 A P - 0 0 114 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.268 23.3-142.7 -77.7 172.2 25.2 22.0 21.5 27 3445 A I - 0 0 24 56,-0.2 2,-0.4 31,-0.0 29,-0.1 -0.909 4.6-156.6-129.3 157.8 22.4 23.4 23.6 28 3446 A T - 0 0 124 -2,-0.3 2,-0.4 56,-0.0 31,-0.1 -0.994 13.3-145.6-135.5 131.0 21.6 26.9 24.8 29 3447 A V - 0 0 14 -2,-0.4 31,-0.1 33,-0.1 30,-0.0 -0.805 4.5-158.9 -98.7 136.1 19.4 27.5 27.8 30 3448 A T - 0 0 100 -2,-0.4 33,-0.1 29,-0.2 36,-0.0 -0.943 26.5-131.7-109.7 106.4 17.2 30.5 28.1 31 3449 A P - 0 0 81 0, 0.0 2,-0.3 0, 0.0 33,-0.2 -0.326 23.0-160.0 -60.2 135.7 16.5 30.9 31.8 32 3450 A T - 0 0 45 31,-2.5 34,-0.3 28,-0.1 158,-0.0 -0.780 9.9-152.9-115.2 162.6 12.8 31.3 32.6 33 3451 A T S S+ 0 0 144 -2,-0.3 -1,-0.1 1,-0.1 31,-0.1 0.557 72.5 75.3-116.6 -10.9 11.3 32.8 35.7 34 3452 A D + 0 0 106 1,-0.1 2,-1.2 2,-0.0 -1,-0.1 0.627 62.8 107.2 -85.7 -8.1 7.7 31.5 36.5 35 3453 A G - 0 0 13 29,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.553 53.5-174.1 -73.5 96.2 8.7 28.0 37.8 36 3454 A G + 0 0 57 -2,-1.2 2,-0.2 1,-0.2 -1,-0.1 0.810 41.4 9.4 -62.3-123.6 8.1 28.2 41.5 37 3455 A E + 0 0 207 2,-0.0 2,-0.3 1,-0.0 -1,-0.2 -0.417 54.0 178.0 -76.8 134.0 8.9 25.7 44.3 38 3456 A T - 0 0 54 -2,-0.2 -3,-0.0 2,-0.1 -1,-0.0 -0.943 27.8-143.6-123.9 144.7 11.0 22.5 43.7 39 3457 A R S S+ 0 0 143 -2,-0.3 2,-0.4 2,-0.0 54,-0.2 0.617 77.9 90.9 -84.8 -6.3 11.9 20.0 46.4 40 3458 A F - 0 0 8 1,-0.1 54,-0.2 52,-0.1 -2,-0.1 -0.729 60.0-160.0 -97.0 129.5 15.3 19.5 44.8 41 3459 A D S S- 0 0 105 52,-1.9 2,-0.3 -2,-0.4 53,-0.2 0.689 82.8 -2.8 -75.9 -21.0 18.3 21.5 45.9 42 3460 A G E -d 94 0B 3 51,-1.4 53,-1.2 48,-0.1 2,-0.3 -0.967 67.1-166.7-160.9 163.7 20.0 20.6 42.6 43 3461 A Q E -de 95 69B 2 25,-1.6 27,-2.0 -2,-0.3 2,-0.5 -0.989 16.6-139.5-157.6 154.9 19.4 18.4 39.6 44 3462 A I E -de 96 70B 6 51,-2.3 53,-2.4 -2,-0.3 2,-0.7 -0.989 12.0-153.8-114.8 127.9 21.1 17.0 36.6 45 3463 A I E -de 97 71B 0 25,-3.1 27,-2.7 -2,-0.5 2,-0.7 -0.926 17.2-156.7 -98.0 116.2 19.3 16.9 33.2 46 3464 A V E -de 98 72B 0 51,-3.0 53,-2.8 -2,-0.7 2,-0.7 -0.896 3.6-153.8-104.7 110.3 20.8 14.0 31.4 47 3465 A Q E -de 99 73B 0 25,-3.0 27,-2.1 -2,-0.7 53,-0.2 -0.781 10.7-172.8 -84.5 113.5 20.5 14.3 27.6 48 3466 A M + 0 0 0 51,-2.8 2,-0.3 -2,-0.7 52,-0.2 0.498 60.5 22.8 -91.9 -5.4 20.6 10.6 26.3 49 3467 A E S S- 0 0 0 50,-0.4 2,-1.3 2,-0.1 -31,-0.2 -0.989 75.1-110.9-157.1 155.7 20.7 11.2 22.6 50 3468 A N + 0 0 30 -33,-3.2 -31,-0.1 -2,-0.3 3,-0.1 -0.701 66.0 129.6 -88.8 81.8 21.6 13.8 19.9 51 3469 A D > - 0 0 17 -2,-1.3 4,-2.8 1,-0.1 5,-0.2 -0.994 61.3-129.1-134.4 139.4 18.2 14.7 18.6 52 3470 A P H > S+ 0 0 108 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.856 108.6 48.4 -64.6 -35.8 16.9 18.3 18.3 53 3471 A V H > S+ 0 0 30 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.885 114.7 47.3 -65.2 -39.9 13.6 17.7 20.1 54 3472 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.923 112.2 49.5 -67.2 -45.2 15.5 16.0 23.0 55 3473 A A H X S+ 0 0 15 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.901 112.1 48.5 -61.1 -41.9 18.2 18.8 23.1 56 3474 A K H X S+ 0 0 59 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.898 111.6 49.0 -66.2 -43.3 15.4 21.4 23.2 57 3475 A A H X S+ 0 0 4 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.897 110.9 50.2 -62.9 -42.5 13.6 19.6 26.0 58 3476 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.930 112.4 47.2 -62.0 -46.4 16.8 19.2 28.1 59 3477 A A H X S+ 0 0 8 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.891 112.2 50.1 -61.1 -43.0 17.6 22.9 27.7 60 3478 A N H X S+ 0 0 14 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.863 108.9 50.8 -63.8 -41.4 14.0 23.9 28.6 61 3479 A L H >X S+ 0 0 3 -4,-2.3 3,-0.8 2,-0.2 4,-0.6 0.946 111.8 48.6 -59.5 -46.4 14.0 21.7 31.7 62 3480 A A H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.873 105.7 58.3 -60.1 -40.5 17.3 23.3 32.8 63 3481 A G H >< S+ 0 0 1 -4,-2.2 -31,-2.5 1,-0.3 3,-0.8 0.722 93.8 65.8 -65.2 -25.4 15.9 26.8 32.2 64 3482 A K H << S+ 0 0 47 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.808 123.4 15.4 -66.6 -30.1 13.1 26.3 34.6 65 3483 A H T X< S+ 0 0 18 -3,-1.2 3,-1.1 -4,-0.6 4,-0.5 -0.457 81.0 160.2-139.7 61.4 15.7 26.1 37.5 66 3484 A A G X + 0 0 12 -3,-0.8 3,-0.7 -34,-0.3 -2,-0.1 0.816 66.5 58.6 -62.4 -34.8 18.7 27.5 35.9 67 3485 A E G 3 S+ 0 0 154 1,-0.2 -1,-0.3 -4,-0.1 19,-0.2 0.785 118.0 29.8 -65.5 -29.1 20.6 28.5 39.0 68 3486 A S G < S+ 0 0 27 -3,-1.1 -25,-1.6 -6,-0.2 2,-0.4 0.212 99.7 100.2-120.6 16.8 20.7 24.9 40.3 69 3487 A S E < -e 43 0B 3 -3,-0.7 2,-0.4 -4,-0.5 17,-0.3 -0.827 45.1-167.0-112.7 142.2 20.6 22.7 37.2 70 3488 A V E -e 44 0B 2 -27,-2.0 -25,-3.1 -2,-0.4 2,-0.5 -0.989 10.0-153.2-119.9 133.7 23.4 21.0 35.4 71 3489 A V E -eF 45 84B 0 13,-1.9 12,-2.5 -2,-0.4 13,-1.2 -0.934 15.0-176.5-108.3 126.8 22.9 19.6 31.9 72 3490 A V E -eF 46 82B 0 -27,-2.7 -25,-3.0 -2,-0.5 2,-0.6 -0.984 20.0-146.7-121.0 134.8 25.1 16.6 30.9 73 3491 A Q E -eF 47 81B 0 8,-2.7 8,-1.8 -2,-0.4 2,-0.4 -0.914 23.2-167.9 -95.5 126.0 25.2 14.9 27.5 74 3492 A L E - F 0 80B 0 -27,-2.1 6,-0.2 -2,-0.6 2,-0.1 -0.977 1.7-160.3-124.9 122.1 25.9 11.2 28.1 75 3493 A D > - 0 0 0 4,-2.6 3,-2.0 -2,-0.4 -56,-0.2 -0.356 35.6 -95.6 -99.6 176.2 26.8 8.7 25.3 76 3494 A S T 3 S+ 0 0 37 -58,-2.3 -57,-0.1 1,-0.3 -1,-0.0 0.656 122.9 54.2 -68.6 -17.2 26.8 5.0 24.7 77 3495 A D T 3 S- 0 0 72 -59,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.519 118.4-110.3 -88.4 -6.3 30.5 4.7 25.7 78 3496 A G S < S+ 0 0 17 -3,-2.0 2,-0.2 1,-0.4 -2,-0.1 0.485 74.7 138.1 83.4 4.5 29.7 6.4 29.1 79 3497 A N - 0 0 75 52,-0.0 -4,-2.6 -5,-0.0 -1,-0.4 -0.555 30.7-179.0 -74.6 145.4 31.7 9.5 28.0 80 3498 A Y E -F 74 0B 40 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.956 22.1-154.2-142.2 161.3 29.9 12.8 28.9 81 3499 A R E -F 73 0B 63 -8,-1.8 -8,-2.7 -2,-0.3 2,-0.7 -0.991 21.5-129.6-138.1 137.9 30.2 16.5 28.7 82 3500 A V E +F 72 0B 50 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.758 29.7 173.5 -78.4 116.2 28.8 19.1 30.9 83 3501 A V E + 0 0 41 -12,-2.5 2,-0.3 -2,-0.7 -56,-0.2 0.514 62.7 20.5-106.6 -5.3 27.1 21.5 28.6 84 3502 A Y E S+F 71 0B 61 -13,-1.2 -13,-1.9 -56,-0.1 -1,-0.3 -0.959 99.7 6.9-161.5 139.0 25.4 23.8 31.2 85 3503 A G S S- 0 0 42 -2,-0.3 -15,-0.2 -15,-0.2 -18,-0.1 -0.107 79.7 -62.2 85.9-174.4 25.8 24.6 34.9 86 3504 A D >> - 0 0 84 -17,-0.3 3,-1.5 -19,-0.2 4,-0.6 -0.913 28.8-169.9-124.7 99.0 28.1 24.0 37.7 87 3505 A P G >4 S+ 0 0 13 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.831 85.9 66.6 -58.4 -29.1 28.6 20.4 38.9 88 3506 A S G 34 S+ 0 0 88 1,-0.2 -2,-0.0 50,-0.1 48,-0.0 0.692 95.5 55.2 -70.4 -16.3 30.5 21.6 41.9 89 3507 A K G <4 S+ 0 0 109 -3,-1.5 -1,-0.2 2,-0.0 -4,-0.0 0.706 73.6 121.6 -87.3 -20.6 27.4 23.3 43.4 90 3508 A L << + 0 0 10 -3,-1.0 2,-0.3 -4,-0.6 -48,-0.1 -0.234 38.8 145.2 -52.2 115.3 25.2 20.1 43.4 91 3509 A D + 0 0 109 2,-0.1 -50,-0.1 47,-0.1 -2,-0.0 -0.941 37.9 10.1-144.8 161.8 24.2 19.6 47.0 92 3510 A G S S+ 0 0 43 -2,-0.3 2,-0.6 -51,-0.1 -52,-0.1 -0.303 111.1 9.1 73.7-145.8 21.3 18.4 49.1 93 3511 A K S S- 0 0 64 -54,-0.2 -52,-1.9 49,-0.1 -51,-1.4 -0.646 78.0-165.8 -81.4 118.4 18.3 16.6 47.6 94 3512 A L E -d 42 0B 4 -2,-0.6 49,-3.0 47,-0.4 50,-1.2 -0.786 15.0-167.7-113.1 149.0 19.0 15.8 43.9 95 3513 A R E -dg 43 144B 33 -53,-1.2 -51,-2.3 -2,-0.3 2,-0.4 -0.920 9.1-153.5-124.2 148.7 17.0 14.8 40.9 96 3514 A W E -dg 44 145B 5 48,-2.2 50,-2.4 -2,-0.3 2,-0.5 -0.998 7.3-160.8-113.9 134.7 18.1 13.5 37.6 97 3515 A Q E -dg 45 146B 5 -53,-2.4 -51,-3.0 -2,-0.4 2,-0.5 -0.977 10.9-151.2-112.7 121.7 15.7 14.1 34.7 98 3516 A L E -dg 46 147B 0 48,-2.3 50,-3.2 -2,-0.5 2,-0.5 -0.833 11.7-163.8 -95.5 125.9 16.5 11.7 31.8 99 3517 A V E +dg 47 148B 0 -53,-2.8 -51,-2.8 -2,-0.5 -50,-0.4 -0.963 32.6 104.8-118.6 124.7 15.7 13.1 28.4 100 3518 A G - 0 0 0 48,-1.6 2,-0.4 -2,-0.5 50,-0.3 -0.959 66.0 -77.9-176.5 173.7 15.3 11.0 25.3 101 3519 A H - 0 0 5 -2,-0.3 13,-2.2 48,-0.2 14,-0.4 -0.758 36.3-135.3 -90.5 129.9 12.9 9.4 22.8 102 3520 A G E +aB 11 113A 0 -92,-2.3 -90,-2.1 -2,-0.4 2,-0.3 -0.669 35.9 169.9 -77.0 142.2 11.0 6.3 23.8 103 3521 A R E + B 0 112A 23 9,-2.3 9,-1.8 -2,-0.3 8,-1.3 -0.909 36.0 56.1-144.4 169.9 11.0 3.7 21.0 104 3522 A D S S- 0 0 87 -2,-0.3 7,-1.2 6,-0.2 -1,-0.2 0.995 70.1-143.1 67.6 71.3 10.1 0.1 20.2 105 3523 A H + 0 0 138 5,-0.2 2,-0.2 6,-0.1 5,-0.2 -0.167 27.4 165.3 -66.5 153.5 6.5 -0.2 21.2 106 3524 A S > - 0 0 37 4,-0.0 3,-1.7 0, 0.0 4,-0.1 -0.820 57.7 -74.7-150.2-174.8 5.1 -3.4 22.9 107 3525 A E T 3 S+ 0 0 189 1,-0.3 3,-0.1 -2,-0.2 -2,-0.1 0.702 136.9 43.8 -65.2 -22.2 2.0 -4.5 24.8 108 3526 A T T 3 S- 0 0 39 1,-0.5 53,-0.4 46,-0.1 -1,-0.3 0.069 122.5-110.2-108.7 22.5 3.5 -2.6 27.8 109 3527 A N S < S+ 0 0 9 -3,-1.7 -1,-0.5 51,-0.1 43,-0.2 -0.327 75.1 8.3 78.6-161.8 4.4 0.5 25.6 110 3528 A N - 0 0 6 41,-1.7 51,-0.6 -5,-0.2 -5,-0.2 -0.114 50.2-170.0 -56.4 139.9 8.0 1.6 24.7 111 3529 A T + 0 0 54 -8,-1.3 7,-0.4 -7,-1.2 2,-0.4 0.426 65.7 55.1-107.6 -6.1 10.8 -0.8 25.6 112 3530 A R E -B 103 0A 80 -9,-1.8 -9,-2.3 5,-0.1 2,-0.5 -0.998 53.7-163.6-138.4 136.4 13.7 1.6 24.8 113 3531 A L E > S-BC 102 116A 0 3,-2.4 3,-2.2 -2,-0.4 -11,-0.2 -0.978 88.0 -20.3-113.0 117.6 14.9 5.0 25.9 114 3532 A S T 3 S- 0 0 0 -13,-2.2 -1,-0.1 -2,-0.5 -12,-0.1 0.825 130.7 -49.5 52.5 36.2 17.5 6.5 23.5 115 3533 A G T 3 S+ 0 0 17 -14,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.371 114.5 118.0 86.8 0.6 18.3 3.0 22.3 116 3534 A Y B < -C 113 0A 13 -3,-2.2 -3,-2.4 4,-0.0 -1,-0.2 -0.839 57.6-137.9-108.1 133.7 18.7 1.5 25.8 117 3535 A S > - 0 0 27 -2,-0.4 4,-2.3 -5,-0.2 5,-0.2 -0.278 42.6 -97.0 -66.8 167.9 16.6 -1.3 27.4 118 3536 A A H > S+ 0 0 7 -7,-0.4 4,-2.0 1,-0.2 5,-0.1 0.905 127.0 46.4 -56.4 -43.7 15.6 -0.7 31.1 119 3537 A D H > S+ 0 0 87 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.871 111.4 50.2 -70.5 -37.0 18.6 -2.8 32.2 120 3538 A E H > S+ 0 0 85 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.898 109.4 52.2 -67.5 -38.9 21.1 -1.2 29.9 121 3539 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.919 107.2 52.2 -63.1 -45.2 20.0 2.3 31.0 122 3540 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.888 110.3 48.4 -59.1 -42.9 20.5 1.3 34.6 123 3541 A V H X S+ 0 0 52 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.937 111.0 50.7 -61.9 -47.1 24.1 0.1 33.9 124 3542 A K H X S+ 0 0 26 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.895 112.4 46.6 -58.4 -43.2 24.9 3.3 31.9 125 3543 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.848 109.9 52.9 -68.5 -34.8 23.6 5.5 34.8 126 3544 A A H X S+ 0 0 8 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.912 112.6 44.7 -68.4 -39.4 25.5 3.5 37.4 127 3545 A K H X S+ 0 0 129 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.862 111.6 54.4 -68.8 -37.9 28.8 3.9 35.4 128 3546 A F H X S+ 0 0 1 -4,-1.9 4,-2.9 -5,-0.2 5,-0.3 0.918 105.4 52.2 -62.7 -45.3 27.9 7.6 34.9 129 3547 A Q H X S+ 0 0 29 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.915 111.8 46.3 -55.4 -46.6 27.6 8.1 38.7 130 3548 A Q H X S+ 0 0 133 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.942 116.9 43.0 -60.1 -51.9 31.0 6.6 39.3 131 3549 A S H X S+ 0 0 51 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.936 117.2 45.2 -62.7 -47.6 32.7 8.5 36.5 132 3550 A F H X S+ 0 0 3 -4,-2.9 4,-2.9 2,-0.2 6,-0.4 0.938 110.4 53.5 -62.7 -48.7 31.1 11.9 37.3 133 3551 A N H X>S+ 0 0 29 -4,-2.3 5,-1.0 -5,-0.3 4,-0.6 0.891 115.6 39.9 -61.6 -34.6 31.6 11.7 41.0 134 3552 A Q H <5S+ 0 0 171 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.885 117.2 46.5 -84.6 -35.6 35.3 11.1 40.6 135 3553 A A H <5S+ 0 0 65 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.892 124.9 32.7 -67.8 -39.3 35.9 13.6 37.7 136 3554 A E H <5S- 0 0 63 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.409 103.8-127.6 -98.4 -0.4 34.0 16.4 39.4 137 3555 A N T <5 + 0 0 150 -4,-0.6 2,-0.3 -5,-0.3 -3,-0.2 0.854 62.9 137.3 53.2 39.9 34.8 15.4 43.0 138 3556 A I < - 0 0 17 -5,-1.0 -1,-0.2 -6,-0.4 -2,-0.1 -0.666 40.7-163.5-101.9 164.6 31.1 15.4 43.9 139 3557 A N + 0 0 146 -2,-0.3 2,-0.4 -3,-0.1 -6,-0.0 -0.091 44.7 120.8-141.2 40.4 29.8 12.6 46.1 140 3558 A N - 0 0 42 -11,-0.1 -2,-0.1 -50,-0.1 -47,-0.0 -0.886 37.9-166.8-121.1 144.9 26.1 12.9 45.6 141 3559 A K - 0 0 97 -2,-0.4 -47,-0.4 1,-0.0 -2,-0.0 -0.841 31.9 -94.3-120.9 153.2 23.5 10.5 44.2 142 3560 A P - 0 0 0 0, 0.0 -47,-0.2 0, 0.0 3,-0.1 -0.321 16.5-164.8 -75.3 149.6 19.9 11.2 43.2 143 3561 A D S S+ 0 0 64 -49,-3.0 34,-1.6 1,-0.3 2,-0.4 0.596 82.5 26.3 -93.9 -22.6 16.8 10.8 45.4 144 3562 A H E -gh 95 177B 9 -50,-1.2 -48,-2.2 32,-0.2 2,-0.5 -1.000 59.4-159.9-146.6 140.4 14.6 10.9 42.3 145 3563 A I E -gh 96 178B 0 32,-2.6 34,-2.6 -2,-0.4 2,-0.6 -0.992 9.5-162.4-118.7 125.1 14.7 10.1 38.6 146 3564 A S E -gh 97 179B 2 -50,-2.4 -48,-2.3 -2,-0.5 2,-0.9 -0.953 14.4-143.5-105.0 118.5 12.1 11.6 36.3 147 3565 A I E -g 98 0B 0 32,-2.8 2,-1.2 -2,-0.6 34,-0.4 -0.731 13.2-167.5 -86.8 109.0 11.9 9.8 33.0 148 3566 A V E +g 99 0B 0 -50,-3.2 -48,-1.6 -2,-0.9 2,-0.3 -0.646 49.1 97.0-102.4 76.5 11.3 12.4 30.4 149 3567 A G S S- 0 0 0 -2,-1.2 3,-0.4 -50,-0.2 32,-0.4 -0.960 78.4 -85.5-151.7 158.0 10.4 10.3 27.4 150 3568 A S S S- 0 0 0 -140,-3.0 34,-0.3 -2,-0.3 -40,-0.1 -0.474 92.3 -14.8 -73.2 136.6 7.1 9.2 25.9 151 3569 A S S S+ 0 0 10 32,-3.2 -41,-1.7 -2,-0.2 31,-0.3 0.819 71.3 152.0 48.8 61.3 5.1 6.2 27.0 152 3570 A L + 0 0 0 29,-2.3 10,-2.4 -3,-0.4 2,-0.3 0.029 60.3 50.0-113.5 24.2 7.7 4.3 29.1 153 3571 A V S S- 0 0 0 28,-0.5 7,-0.2 8,-0.2 -43,-0.2 -0.944 98.2 -87.2-150.7 156.3 5.3 2.5 31.5 154 3572 A S > - 0 0 1 5,-2.8 3,-2.5 -2,-0.3 -46,-0.1 -0.233 37.8-108.9 -67.0 156.4 2.2 0.5 30.7 155 3573 A D T 3 S+ 0 0 111 1,-0.3 27,-0.1 2,-0.1 -1,-0.1 0.884 123.3 46.7 -53.7 -40.4 -1.2 2.1 30.3 156 3574 A D T 3 S- 0 0 93 1,-0.1 -1,-0.3 26,-0.0 -2,-0.1 0.394 110.6-125.3 -81.2 3.2 -2.4 0.6 33.6 157 3575 A K S < S+ 0 0 40 -3,-2.5 -2,-0.1 2,-0.1 -1,-0.1 0.558 85.8 101.8 65.4 14.3 0.9 1.7 35.3 158 3576 A Q S S+ 0 0 136 -5,-0.0 2,-0.2 5,-0.0 -1,-0.1 0.687 80.8 20.4-100.2 -19.5 1.7 -1.9 36.5 159 3577 A K S S+ 0 0 82 -51,-0.0 -5,-2.8 4,-0.0 3,-0.3 -0.727 78.8 62.5-138.3 178.1 4.3 -3.0 34.0 160 3578 A G S >> S- 0 0 12 -7,-0.2 4,-2.1 -2,-0.2 3,-0.8 -0.444 90.9 -21.6 100.6-165.2 6.8 -1.9 31.4 161 3579 A F H 3> S+ 0 0 7 -51,-0.6 4,-3.1 -53,-0.4 -8,-0.2 0.858 125.8 55.2 -55.7 -47.3 10.0 0.1 31.2 162 3580 A G H 3> S+ 0 0 0 -10,-2.4 4,-2.1 -3,-0.3 -1,-0.3 0.823 110.8 45.2 -56.8 -39.6 9.7 2.1 34.4 163 3581 A H H <> S+ 0 0 39 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.912 114.3 47.1 -71.4 -44.9 9.2 -1.0 36.5 164 3582 A Q H X S+ 0 0 110 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.925 114.5 50.8 -61.9 -41.9 12.1 -2.9 34.9 165 3583 A F H X S+ 0 0 0 -4,-3.1 4,-2.9 -5,-0.2 5,-0.2 0.913 107.0 48.7 -61.8 -50.8 14.2 0.3 35.3 166 3584 A I H X S+ 0 0 9 -4,-2.1 4,-1.7 1,-0.2 10,-0.3 0.924 116.3 45.7 -60.6 -40.2 13.6 1.0 39.0 167 3585 A N H X S+ 0 0 82 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.940 113.0 49.1 -66.8 -44.8 14.4 -2.6 39.8 168 3586 A A H X S+ 0 0 3 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.857 107.4 55.5 -63.2 -37.5 17.5 -2.6 37.5 169 3587 A M H <>S+ 0 0 0 -4,-2.9 5,-2.8 2,-0.2 3,-0.5 0.918 109.8 46.2 -60.3 -43.6 18.8 0.6 39.1 170 3588 A D H ><5S+ 0 0 52 -4,-1.7 3,-2.5 1,-0.2 -2,-0.2 0.946 107.9 55.4 -65.2 -43.2 18.6 -1.0 42.5 171 3589 A A H 3<5S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.687 108.1 52.0 -63.6 -19.3 20.4 -4.2 41.2 172 3590 A N T 3<5S- 0 0 68 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.231 130.9 -94.4 -99.3 12.0 23.2 -1.8 40.1 173 3591 A G T < 5S+ 0 0 64 -3,-2.5 2,-0.5 1,-0.1 -3,-0.2 0.574 93.5 108.5 90.8 11.5 23.5 -0.2 43.5 174 3592 A L < - 0 0 12 -5,-2.8 2,-0.8 -6,-0.2 -2,-0.2 -0.904 45.2-168.4-124.3 101.9 21.2 2.9 43.1 175 3593 A R + 0 0 132 -2,-0.5 2,-0.3 -5,-0.1 -8,-0.1 -0.804 29.4 153.8 -89.3 110.1 17.9 2.7 45.1 176 3594 A V - 0 0 4 -2,-0.8 2,-0.2 -10,-0.3 -32,-0.2 -0.965 46.9-113.5-137.6 154.7 15.8 5.6 43.7 177 3595 A D E -h 144 0B 45 -34,-1.6 -32,-2.6 -2,-0.3 2,-0.4 -0.557 36.7-155.3 -79.9 148.7 12.2 6.8 43.3 178 3596 A V E -hI 145 213B 0 35,-2.7 35,-3.7 -34,-0.2 2,-0.4 -0.994 14.1-162.0-135.2 130.0 11.2 7.0 39.6 179 3597 A S E +hI 146 212B 3 -34,-2.6 -32,-2.8 -2,-0.4 2,-0.3 -0.896 23.6 167.8-108.7 141.2 8.5 9.0 37.9 180 3598 A V E - I 0 211B 0 31,-2.1 31,-2.3 -2,-0.4 2,-0.3 -0.990 25.6-127.9-158.0 149.4 7.5 7.8 34.4 181 3599 A R E - I 0 210B 7 -32,-0.4 -29,-2.3 -34,-0.4 -28,-0.5 -0.842 9.6-165.4-111.9 140.9 4.7 8.5 31.9 182 3600 A S S S+ 0 0 8 27,-1.9 2,-0.1 -2,-0.3 28,-0.1 0.569 76.5 61.8 -94.5 -11.1 2.4 6.1 30.0 183 3601 A S S S- 0 0 14 26,-0.8 -32,-3.2 1,-0.2 -31,-0.2 -0.443 102.8 -71.3-105.5 176.1 1.3 8.8 27.5 184 3602 A E - 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