==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ENTEROTOXIN 20-MAR-96 1TII . COMPND 2 MOLECULE: HEAT LABILE ENTEROTOXIN TYPE IIB; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.VAN DEN AKKER,W.G.J.HOL . 712 8 6 5 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 501 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 193 27.1 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 . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 39 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 1 4 2 0 0 1 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 1 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 PARALLEL BRIDGES PER LADDER . 1 4 6 5 6 10 1 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 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 1 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 1 D G 0 0 70 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 167.8 42.7 -10.3 18.9 2 2 D A - 0 0 8 1,-0.1 17,-0.0 76,-0.1 122,-0.0 -0.429 360.0-100.6 -69.3 141.4 46.3 -11.4 19.0 3 3 D S > - 0 0 12 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.237 29.0-115.4 -58.3 152.0 47.5 -13.3 16.0 4 4 D Q H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.923 120.1 57.4 -55.3 -39.8 47.6 -17.1 16.6 5 5 D F H > S+ 0 0 41 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.937 108.3 43.9 -54.2 -52.9 51.3 -16.7 16.1 6 6 D F H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.931 109.5 55.2 -61.3 -49.2 51.6 -14.2 19.0 7 7 D K H X S+ 0 0 60 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.886 111.4 47.6 -52.0 -40.1 49.3 -16.2 21.3 8 8 D D H < S+ 0 0 86 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.910 108.8 48.7 -70.8 -45.9 51.6 -19.2 20.9 9 9 D N H < S+ 0 0 2 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.840 114.5 47.3 -63.7 -36.4 55.0 -17.6 21.4 10 10 D a H >< S+ 0 0 2 -4,-1.9 3,-1.8 1,-0.2 5,-0.2 0.882 108.1 53.4 -71.8 -42.0 53.9 -15.8 24.6 11 11 D N T 3< S+ 0 0 106 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.481 98.6 66.2 -73.7 -1.0 52.2 -19.0 26.1 12 12 D R T 3 S+ 0 0 152 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.490 104.5 55.9 -92.3 -10.9 55.6 -20.7 25.5 13 13 D T S < S- 0 0 33 -3,-1.8 -3,-0.0 2,-0.2 117,-0.0 -0.475 94.1-103.7-114.1-176.4 57.0 -18.4 28.2 14 14 D T S S+ 0 0 119 -2,-0.2 -3,-0.1 2,-0.1 -4,-0.1 0.569 89.6 97.6 -83.9 -12.8 56.5 -17.3 31.8 15 15 D A S S- 0 0 7 -5,-0.2 2,-0.3 68,-0.1 68,-0.3 -0.317 75.0-119.2 -77.3 160.1 54.9 -14.0 30.7 16 16 D S E -A 82 0A 70 66,-2.5 66,-2.1 -2,-0.0 2,-0.6 -0.712 20.1-121.9 -97.7 150.7 51.2 -13.4 30.5 17 17 D L E -A 81 0A 38 -2,-0.3 2,-0.5 64,-0.2 64,-0.2 -0.851 26.8-172.4 -94.5 119.3 49.4 -12.5 27.3 18 18 D V E -A 80 0A 44 62,-2.6 62,-3.3 -2,-0.6 2,-0.3 -0.967 14.5-164.1-110.6 120.2 47.5 -9.2 27.7 19 19 D E E + 0 0 85 -2,-0.5 60,-0.2 60,-0.2 -2,-0.0 -0.815 51.3 9.5-119.8 152.7 45.3 -8.4 24.7 20 20 D G E S+ 0 0 27 -2,-0.3 2,-0.2 58,-0.2 59,-0.2 0.834 76.0 169.9 63.5 38.9 43.4 -5.5 23.1 21 21 D V E -A 78 0A 18 57,-2.5 57,-1.8 -3,-0.3 2,-0.7 -0.558 29.6-142.8 -83.7 145.0 44.9 -2.9 25.3 22 22 D E - 0 0 69 -2,-0.2 20,-2.1 55,-0.2 2,-0.3 -0.924 14.9-150.8-111.4 105.3 44.5 0.8 24.6 23 23 D L E +B 41 0A 4 -2,-0.7 18,-0.3 53,-0.5 52,-0.1 -0.629 23.1 168.0 -76.4 135.4 47.6 2.7 25.5 24 24 D T E + 0 0 27 16,-3.1 470,-2.2 -2,-0.3 2,-0.4 0.572 58.4 40.3-123.8 -20.0 47.0 6.3 26.5 25 25 D K E -BC 40 493A 26 15,-1.5 15,-1.8 468,-0.2 2,-0.4 -0.996 54.8-163.0-135.4 148.5 50.3 7.6 28.0 26 26 D Y E -BC 39 492A 0 466,-1.9 466,-3.5 -2,-0.4 2,-0.4 -0.996 18.1-163.6-131.6 125.5 53.9 7.2 26.9 27 27 D I E -BC 38 491A 0 11,-3.4 11,-2.4 -2,-0.4 2,-0.4 -0.940 19.1-175.7-122.6 135.7 56.5 8.1 29.5 28 28 D S E +BC 37 490A 0 462,-2.0 462,-2.1 -2,-0.4 2,-0.4 -0.998 18.7 178.0-121.8 125.0 60.3 8.8 29.4 29 29 D D E +BC 36 489A 1 7,-2.6 7,-2.5 -2,-0.4 460,-0.3 -0.992 23.4 174.3-135.0 123.7 61.8 9.3 32.9 30 30 D I + 0 0 31 458,-3.3 5,-0.2 -2,-0.4 459,-0.2 0.374 40.5 125.7-107.0 4.5 65.5 9.9 33.7 31 31 D N S >> S- 0 0 13 457,-0.5 4,-1.7 1,-0.2 3,-0.9 -0.456 71.1-122.8 -57.4 128.3 65.0 10.5 37.5 32 32 D N T 34 S+ 0 0 142 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.821 106.9 51.6 -48.7 -35.9 67.5 7.9 38.9 33 33 D N T 34 S+ 0 0 108 1,-0.2 -1,-0.2 372,-0.1 -2,-0.1 0.850 125.3 23.0 -72.9 -34.4 64.8 6.2 41.0 34 34 D T T <4 S+ 0 0 19 -3,-0.9 -2,-0.2 371,-0.1 -1,-0.2 0.262 82.3 157.8-115.7 11.5 62.3 5.6 38.2 35 35 D D < + 0 0 30 -4,-1.7 2,-0.3 -5,-0.2 -5,-0.2 -0.075 36.6 76.7 -39.6 118.4 64.7 5.8 35.2 36 36 D G E S-B 29 0A 3 -7,-2.5 -7,-2.6 417,-0.1 2,-0.4 -0.969 77.9 -79.7 163.8-172.8 63.0 4.0 32.3 37 37 D M E +B 28 0A 9 12,-0.4 12,-2.4 -2,-0.3 2,-0.3 -0.988 47.9 173.6-122.7 130.5 60.3 4.0 29.5 38 38 D Y E -BD 27 48A 3 -11,-2.4 -11,-3.4 -2,-0.4 2,-0.3 -0.934 21.4-156.1-139.5 161.0 56.7 3.2 30.4 39 39 D V E -BD 26 47A 0 8,-1.5 8,-2.2 -2,-0.3 2,-0.4 -0.959 9.8-152.4-134.6 148.6 53.2 3.1 28.9 40 40 D V E -BD 25 46A 6 -15,-1.8 -16,-3.1 -2,-0.3 -15,-1.5 -0.982 13.6-138.1-123.5 133.6 49.9 3.4 30.7 41 41 D S E > -B 23 0A 5 4,-2.4 3,-1.8 -2,-0.4 -18,-0.2 -0.339 33.0-100.2 -84.0 174.1 46.6 1.8 29.4 42 42 D S T 3 S+ 0 0 69 -20,-2.1 -19,-0.1 1,-0.3 -1,-0.1 0.743 124.4 53.9 -66.7 -20.1 43.3 3.5 29.4 43 43 D T T 3 S- 0 0 126 -21,-0.2 -1,-0.3 2,-0.1 -20,-0.1 0.216 124.0-100.3 -97.6 10.0 42.4 1.5 32.6 44 44 D G S < S+ 0 0 49 -3,-1.8 -2,-0.1 1,-0.3 357,-0.1 0.502 71.1 147.4 87.0 1.5 45.5 2.6 34.5 45 45 D G - 0 0 23 43,-0.0 -4,-2.4 1,-0.0 2,-0.4 -0.489 33.0-153.3 -69.5 145.7 47.7 -0.5 34.0 46 46 D V E -D 40 0A 32 -6,-0.2 43,-0.7 -2,-0.1 2,-0.3 -0.968 14.1-179.0-124.0 139.8 51.4 0.5 33.8 47 47 D W E -De 39 89A 24 -8,-2.2 -8,-1.5 -2,-0.4 2,-0.4 -0.956 22.1-131.9-136.3 153.3 54.2 -1.4 32.0 48 48 D R E -De 38 90A 72 41,-3.5 43,-2.4 -2,-0.3 2,-0.5 -0.838 23.1-130.7-102.1 143.5 57.9 -1.0 31.5 49 49 D I E - e 0 91A 7 -12,-2.4 -12,-0.4 -2,-0.4 43,-0.1 -0.811 26.1-119.3 -95.5 129.6 59.4 -1.3 28.0 50 50 D S - 0 0 13 41,-0.9 2,-0.3 -2,-0.5 15,-0.1 -0.165 29.6-164.4 -59.4 160.2 62.4 -3.7 27.8 51 51 D R - 0 0 121 13,-0.0 2,-0.3 11,-0.0 7,-0.1 -0.957 10.6-178.8-145.6 156.3 65.8 -2.3 26.6 52 52 D A - 0 0 23 -2,-0.3 10,-0.1 6,-0.1 9,-0.1 -0.947 18.8-157.5-156.6 140.2 69.0 -3.8 25.3 53 53 D K S S+ 0 0 144 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.800 71.2 70.0 -92.1 -30.4 72.3 -2.3 24.3 54 54 D D S > S- 0 0 125 1,-0.1 4,-1.6 4,-0.0 3,-0.3 -0.587 88.0 -66.5 -98.4 151.9 73.6 -5.1 22.1 55 55 D Y T 4 S+ 0 0 58 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.495 109.1 17.6 -65.8 141.3 72.6 -6.5 18.7 56 56 D P T >> S+ 0 0 30 0, 0.0 3,-2.0 0, 0.0 4,-1.2 -0.993 125.1 48.5 -89.2 -16.5 70.1 -7.9 17.9 57 57 D D H 3> S+ 0 0 44 1,-0.3 4,-2.5 -3,-0.3 5,-0.3 0.712 98.5 68.8 -57.6 -22.7 67.9 -6.9 20.8 58 58 D N H 3X S+ 0 0 59 -4,-1.6 4,-1.2 2,-0.2 -1,-0.3 0.800 103.1 48.4 -64.1 -27.1 68.7 -3.3 20.6 59 59 D V H <> S+ 0 0 25 -3,-2.0 4,-2.2 -5,-0.2 5,-0.2 0.956 111.0 47.3 -77.4 -50.2 66.8 -3.4 17.3 60 60 D M H X S+ 0 0 1 -4,-1.2 4,-1.8 1,-0.2 -2,-0.2 0.869 113.3 47.6 -60.2 -39.0 63.7 -5.2 18.7 61 61 D T H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.913 108.8 55.2 -71.3 -36.7 63.4 -2.9 21.8 62 62 D A H X S+ 0 0 18 -4,-1.2 4,-1.9 -5,-0.3 -2,-0.2 0.919 110.8 45.0 -59.2 -42.7 63.8 0.2 19.6 63 63 D E H X S+ 0 0 5 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.859 107.0 60.2 -69.4 -34.4 60.8 -1.1 17.5 64 64 D M H X S+ 0 0 2 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.876 106.4 46.9 -58.4 -38.2 59.0 -1.9 20.8 65 65 D R H X S+ 0 0 23 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.917 113.2 48.0 -69.2 -44.5 59.2 1.8 21.7 66 66 D K H X S+ 0 0 20 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.906 111.6 50.2 -63.4 -42.5 58.0 2.9 18.2 67 67 D I H X S+ 0 0 0 -4,-3.1 4,-1.5 2,-0.2 -1,-0.2 0.913 113.3 46.9 -62.1 -41.6 55.2 0.4 18.4 68 68 D A H X S+ 0 0 0 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.940 115.5 44.0 -66.2 -48.5 54.2 1.8 21.8 69 69 D M H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.888 111.0 53.0 -66.0 -38.8 54.4 5.4 20.8 70 70 D A H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 6,-0.3 0.863 108.1 54.5 -64.4 -31.3 52.6 4.8 17.5 71 71 D A H X S+ 0 0 0 -4,-1.5 4,-2.2 -5,-0.2 5,-0.3 0.847 109.6 44.4 -69.1 -38.6 49.8 3.1 19.6 72 72 D V H < S+ 0 0 3 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.892 116.0 48.5 -70.8 -43.6 49.4 6.2 21.9 73 73 D L H < S+ 0 0 16 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.864 125.0 28.7 -64.2 -36.5 49.5 8.6 18.8 74 74 D S H < S- 0 0 37 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.724 94.3-126.3-100.6 -26.0 46.9 6.5 16.9 75 75 D G < + 0 0 34 -4,-2.2 2,-0.2 1,-0.3 -3,-0.1 0.589 56.5 149.9 88.1 7.5 44.7 4.8 19.4 76 76 D M - 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L 0 589D 42 -51,-2.0 -51,-0.5 -17,-0.2 2,-0.4 -0.968 22.7-144.9-118.7 103.7 29.9 23.8 2.0 607 112 A A E - L 0 588D 0 -19,-2.6 -19,-2.6 -2,-0.6 2,-0.8 -0.625 1.7-143.8 -77.2 126.4 29.0 20.1 1.7 608 113 A A E > -KL 553 587D 0 -55,-2.4 -55,-1.8 -2,-0.4 3,-1.5 -0.811 19.4-130.2 -94.3 110.1 31.3 17.6 3.4 609 114 A L E 3 S-K 552 0D 4 -23,-3.3 -57,-0.2 -2,-0.8 -58,-0.1 -0.435 87.3 -8.7 -61.1 120.5 31.6 14.5 1.3 610 115 A G T 3 S- 0 0 0 -59,-3.1 -1,-0.3 -2,-0.3 -58,-0.2 0.506 122.2 -78.5 69.7 5.2 30.9 11.4 3.4 611 116 A G < - 0 0 0 -3,-1.5 -95,-0.2 -60,-0.2 -58,-0.1 -0.506 58.2 -62.4 102.2-171.5 30.9 13.5 6.6 612 117 A I E -J 515 0C 0 -97,-2.7 -97,-2.2 -2,-0.2 2,-0.1 -0.974 43.6-132.7-123.6 121.2 33.6 15.1 8.8 613 118 A P E >> -J 514 0C 7 0, 0.0 3,-2.1 0, 0.0 4,-0.6 -0.442 25.0-113.8 -71.1 153.8 36.2 13.0 10.7 614 119 A L G >4 S+ 0 0 27 -101,-2.7 3,-1.3 1,-0.3 -100,-0.1 0.858 114.7 60.1 -53.2 -41.0 36.8 13.7 14.4 615 120 A S G 34 S+ 0 0 21 -102,-0.3 24,-2.2 1,-0.3 -1,-0.3 0.605 101.7 55.4 -64.6 -13.5 40.4 14.9 13.7 616 121 A Q G <4 S+ 0 0 0 -3,-2.1 -34,-2.2 22,-0.2 2,-0.7 0.602 85.1 95.3 -93.3 -16.5 39.0 17.7 11.5 617 122 A I E << -G 581 0B 0 -3,-1.3 -36,-0.2 -4,-0.6 20,-0.1 -0.693 53.7-171.9 -80.8 112.7 36.7 19.1 14.2 618 123 A I E - 0 0 28 -38,-2.0 17,-2.5 -2,-0.7 2,-0.3 0.850 57.1 -60.1 -71.1 -40.6 38.5 21.9 15.9 619 124 A G E -GH 580 634B 0 -39,-1.2 -39,-3.0 15,-0.3 2,-0.3 -0.966 50.1-118.6 178.4-168.9 36.0 22.4 18.7 620 125 A W E -GH 579 633B 15 13,-1.6 13,-3.0 -2,-0.3 2,-0.4 -0.988 5.8-135.9-156.3 159.4 32.4 23.2 19.5 621 126 A Y E -G 578 0B 50 -43,-2.0 -43,-2.1 -2,-0.3 2,-0.4 -0.900 23.1-131.7-115.2 146.1 30.0 25.6 21.2 622 127 A R E -G 577 0B 84 7,-0.5 7,-2.6 9,-0.4 2,-0.6 -0.815 15.5-157.5 -99.9 134.4 27.1 24.5 23.3 623 128 A V E -GI 576 628B 0 -47,-2.7 -47,-1.4 -2,-0.4 2,-0.6 -0.931 12.4-178.1-115.5 106.6 23.8 26.3 22.5 624 129 A S E > S-GI 575 627B 22 3,-2.2 3,-1.4 -2,-0.6 -49,-0.2 -0.912 71.7 -12.1-109.1 118.7 21.4 26.1 25.4 625 130 A F T 3 S- 0 0 157 -51,-2.1 -1,-0.2 -2,-0.6 -50,-0.1 0.786 129.0 -54.3 69.0 25.1 18.0 27.7 24.9 626 131 A G T 3 S+ 0 0 21 1,-0.3 2,-0.4 -52,-0.2 -1,-0.3 0.352 118.4 107.7 88.9 -1.9 19.0 29.3 21.7 627 132 A A E < S-I 624 0B 46 -3,-1.4 -3,-2.2 2,-0.0 2,-0.8 -0.847 76.8-116.4-112.6 142.4 22.0 31.0 23.4 628 133 A I E -I 623 0B 57 -2,-0.4 2,-1.1 -5,-0.2 -5,-0.2 -0.687 32.4-144.0 -76.1 112.3 25.6 30.2 22.9 629 134 A E - 0 0 79 -7,-2.6 -7,-0.5 -2,-0.8 2,-0.1 -0.659 52.0 -49.4 -83.3 97.3 26.7 29.1 26.4 630 135 A G S S- 0 0 61 -2,-1.1 2,-0.1 -9,-0.1 3,-0.1 -0.467 89.8 -34.3 81.3-156.6 30.2 30.2 27.1 631 136 A G S S- 0 0 49 -2,-0.1 -9,-0.4 1,-0.1 2,-0.3 -0.311 74.2 -67.6 -98.0-174.9 33.2 29.7 24.8 632 137 A M - 0 0 37 -11,-0.1 2,-0.7 -2,-0.1 -11,-0.2 -0.580 39.8-137.4 -77.3 133.0 34.4 27.1 22.4 633 138 A H E -H 620 0B 90 -13,-3.0 -13,-1.6 -2,-0.3 2,-0.2 -0.808 25.7-128.0 -92.1 113.1 35.4 23.7 23.9 634 139 A R E -H 619 0B 186 -2,-0.7 2,-0.6 -15,-0.2 -15,-0.3 -0.455 16.8-125.0 -64.7 129.8 38.6 22.7 22.1 635 140 A N > - 0 0 9 -17,-2.5 3,-1.5 -2,-0.2 -1,-0.1 -0.703 13.5-155.2 -80.3 118.3 38.5 19.2 20.6 636 141 A R T 3 S+ 0 0 177 -2,-0.6 -1,-0.2 1,-0.3 -163,-0.1 0.728 91.8 57.2 -67.2 -20.9 41.4 17.3 22.0 637 142 A D T 3 S+ 0 0 58 -23,-0.1 -1,-0.3 -20,-0.1 2,-0.2 0.317 75.6 122.0 -91.8 6.1 41.4 14.9 19.0 638 143 A Y < - 0 0 46 -3,-1.5 2,-0.6 -20,-0.2 -22,-0.2 -0.530 53.4-151.5 -67.9 133.4 41.8 17.8 16.5 639 144 A R >> + 0 0 27 -24,-2.2 3,-1.4 -2,-0.2 4,-0.9 -0.827 17.4 178.9-112.7 90.8 45.0 17.1 14.5 640 145 A R H >> S+ 0 0 35 -2,-0.6 4,-2.2 -170,-0.5 3,-0.5 0.831 78.5 62.9 -59.4 -36.6 46.4 20.5 13.4 641 146 A D H 34 S+ 0 0 8 -172,-0.8 -1,-0.3 1,-0.2 -171,-0.1 0.725 105.2 48.2 -63.2 -21.7 49.3 18.9 11.6 642 147 A L H <4 S+ 0 0 3 -3,-1.4 -1,-0.2 -27,-0.1 -2,-0.2 0.703 121.1 32.0 -89.3 -24.1 46.9 17.2 9.2 643 148 A F H X< S+ 0 0 6 -4,-0.9 3,-1.7 -3,-0.5 -2,-0.2 0.557 77.9 126.4-113.5 -7.1 44.8 20.2 8.4 644 149 A R T 3< S- 0 0 87 -4,-2.2 -271,-0.1 1,-0.3 -4,-0.0 -0.265 88.0 -0.5 -56.6 121.5 47.1 23.2 8.5 645 150 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.3 -149,-0.1 2,-0.2 0.696 94.1 131.8 74.6 17.3 46.8 25.1 5.2 646 151 A L < - 0 0 34 -3,-1.7 2,-0.3 -63,-0.4 -63,-0.2 -0.479 35.9-163.5 -91.7 166.2 44.3 22.9 3.4 647 152 A S - 0 0 80 -2,-0.2 -60,-0.2 -65,-0.1 -65,-0.0 -0.920 29.0 -72.9-144.1 171.0 41.3 24.4 1.6 648 153 A A - 0 0 19 -2,-0.3 -60,-0.2 1,-0.1 3,-0.1 -0.177 63.5 -81.4 -62.1 163.5 38.0 23.3 0.3 649 154 A A B -m 588 0D 7 -62,-2.6 -60,-0.5 -65,-0.5 -1,-0.1 -0.396 49.1-108.0 -70.2 138.6 37.7 21.3 -3.0 650 155 A P >> - 0 0 57 0, 0.0 3,-1.0 0, 0.0 4,-0.8 -0.379 28.0-115.6 -64.6 145.0 37.9 23.3 -6.2 651 156 A N H >> S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 3,-1.0 0.840 110.4 67.7 -52.0 -36.7 34.6 23.5 -8.1 652 157 A E H 3> S+ 0 0 101 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.907 98.7 51.7 -53.2 -43.1 35.9 21.6 -11.1 653 158 A D H <4 S+ 0 0 87 -3,-1.0 4,-0.5 1,-0.2 -1,-0.3 0.808 110.1 50.6 -66.5 -26.6 36.1 18.5 -8.9 654 159 A G H X< S+ 0 0 0 -3,-1.0 3,-0.8 -4,-0.8 4,-0.3 0.828 96.2 67.1 -81.0 -31.5 32.5 19.0 -7.8 655 160 A Y H >< S+ 0 0 39 -4,-2.0 3,-1.3 1,-0.3 4,-0.3 0.906 96.7 55.9 -56.5 -41.2 31.0 19.4 -11.3 656 161 A R T 3< S+ 0 0 103 -4,-1.1 3,-0.3 1,-0.3 -1,-0.3 0.849 117.3 34.9 -60.8 -31.7 31.8 15.8 -12.1 657 162 A I T < S+ 0 0 0 -3,-0.8 -123,-0.9 -4,-0.5 -1,-0.3 0.162 76.3 121.1-110.6 19.9 29.8 14.7 -9.1 658 163 A A < - 0 0 0 -3,-1.3 -123,-1.4 -4,-0.3 -1,-0.2 0.799 60.1-150.9 -51.6 -32.9 27.0 17.4 -9.1 659 164 A G + 0 0 1 -3,-0.3 -123,-0.2 -4,-0.3 -1,-0.1 0.631 28.1 166.9 72.1 14.0 24.5 14.6 -9.4 660 165 A F - 0 0 1 1,-0.1 -1,-0.2 -125,-0.1 3,-0.1 -0.315 47.6 -90.7 -56.9 152.3 21.7 16.4 -11.2 661 166 A P > - 0 0 63 0, 0.0 3,-1.8 0, 0.0 6,-0.2 -0.101 53.8 -78.2 -66.1 157.5 19.1 13.9 -12.6 662 167 A D T 3 S+ 0 0 103 1,-0.3 19,-0.1 -3,-0.1 18,-0.1 -0.328 118.8 15.8 -56.6 132.1 19.5 12.4 -16.0 663 168 A G T 3 S+ 0 0 56 17,-0.9 -1,-0.3 1,-0.3 18,-0.1 0.675 87.1 150.6 78.0 14.9 18.4 14.8 -18.7 664 169 A F X - 0 0 38 -3,-1.8 3,-1.9 16,-0.2 4,-0.3 -0.595 59.4-113.1 -77.3 145.7 18.5 17.8 -16.4 665 170 A P G > S+ 0 0 68 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.812 111.5 67.8 -46.7 -39.7 19.3 21.1 -18.3 666 171 A A G > S+ 0 0 0 1,-0.3 3,-1.8 2,-0.2 7,-0.3 0.818 87.2 66.0 -56.1 -32.2 22.6 21.4 -16.6 667 172 A W G < S+ 0 0 1 -3,-1.9 -1,-0.3 1,-0.3 9,-0.1 0.639 103.2 47.1 -68.7 -9.8 24.0 18.3 -18.3 668 173 A E G < S+ 0 0 122 -3,-2.0 2,-0.3 -4,-0.3 -1,-0.3 0.130 104.0 79.5-111.8 11.6 23.8 20.2 -21.7 669 174 A E S <> S- 0 0 72 -3,-1.8 4,-3.0 -4,-0.0 5,-0.2 -0.903 84.1 -79.1-124.5 151.2 25.4 23.4 -20.4 670 175 A V T 4 S+ 0 0 100 -2,-0.3 -2,-0.1 1,-0.2 -3,-0.0 -0.740 108.0 24.2 -80.2 142.8 28.9 24.5 -19.7 671 176 A P T >4 S+ 0 0 34 0, 0.0 3,-0.9 0, 0.0 4,-0.3 -0.965 125.4 46.0 -84.3 -19.0 30.6 23.9 -17.3 672 177 A W G >> S+ 0 0 17 1,-0.2 4,-1.7 2,-0.2 3,-1.7 0.767 103.9 61.0 -53.8 -37.2 28.8 20.7 -16.4 673 178 A R G 3< S+ 0 0 121 -4,-3.0 3,-0.3 -7,-0.3 -1,-0.2 0.911 100.1 57.7 -59.7 -36.7 28.7 19.1 -19.9 674 179 A E G <4 S+ 0 0 131 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.566 120.0 27.9 -70.1 -10.0 32.4 19.2 -20.0 675 180 A F T <4 S+ 0 0 67 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.424 87.9 131.1-129.1 -6.5 32.6 17.1 -16.8 676 181 A A < - 0 0 5 -4,-1.7 2,-0.2 -3,-0.3 -20,-0.1 -0.070 64.8-108.3 -53.2 145.5 29.4 15.1 -16.9 677 182 A P >> - 0 0 0 0, 0.0 3,-2.6 0, 0.0 4,-0.7 -0.609 37.4-110.4 -73.5 143.1 29.6 11.3 -16.3 678 183 A N G >4 S+ 0 0 134 1,-0.3 3,-2.1 -2,-0.2 8,-0.1 0.878 115.2 55.7 -37.9 -62.8 28.9 9.5 -19.6 679 184 A S G 34 S+ 0 0 33 1,-0.3 7,-0.3 6,-0.2 -1,-0.3 0.332 104.5 56.4 -59.4 6.0 25.5 8.1 -18.6 680 185 A f G <4 S+ 0 0 0 -3,-2.6 -17,-0.9 6,-0.1 -1,-0.3 0.568 81.1 97.1-110.7 -21.1 24.3 11.6 -17.8 681 186 A L << 0 0 72 -3,-2.1 -13,-0.1 -4,-0.7 -19,-0.0 -0.476 360.0 360.0 -69.3 142.5 24.9 13.4 -21.1 682 187 A P 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -14,-0.1 0.957 360.0 360.0 -69.3 360.0 21.8 13.5 -23.3 683 !* 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 0.0 684 195 C T 0 0 129 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 152.3 25.0 2.4 -15.7 685 196 C T > - 0 0 79 1,-0.1 4,-2.2 -5,-0.0 5,-0.2 -0.392 360.0-108.0 -86.0 170.6 22.4 5.1 -14.9 686 197 C f H > S+ 0 0 5 -7,-0.3 4,-2.1 2,-0.2 5,-0.2 0.972 121.0 49.8 -61.8 -45.5 23.3 8.7 -14.3 687 198 C A H > S+ 0 0 52 1,-0.2 4,-2.9 2,-0.2 3,-0.3 0.938 110.6 47.0 -56.4 -56.9 22.5 8.2 -10.6 688 199 C S H > S+ 0 0 60 1,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.867 112.1 49.7 -56.3 -42.7 24.7 5.1 -10.2 689 200 C L H X S+ 0 0 30 -4,-2.2 4,-2.4 2,-0.2 -1,-0.3 0.868 111.2 50.2 -69.1 -32.7 27.6 6.6 -11.9 690 201 C T H X S+ 0 0 1 -4,-2.1 4,-2.8 -3,-0.3 -2,-0.2 0.973 113.6 44.5 -66.1 -52.1 27.3 9.7 -9.8 691 202 C N H X S+ 0 0 34 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.958 114.6 50.9 -53.7 -51.8 27.2 7.6 -6.6 692 203 C K H X S+ 0 0 142 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.866 111.9 44.8 -54.0 -46.6 30.0 5.4 -7.8 693 204 C L H X S+ 0 0 40 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.913 113.4 52.3 -66.7 -40.3 32.2 8.4 -8.7 694 205 C S H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.912 106.1 52.5 -63.1 -42.3 31.4 10.0 -5.3 695 206 C Q H X S+ 0 0 43 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.896 108.6 51.9 -62.4 -35.5 32.3 6.9 -3.4 696 207 C H H X S+ 0 0 110 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.881 107.7 51.2 -69.2 -39.6 35.7 6.8 -5.1 697 208 C D H X S+ 0 0 56 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.902 111.9 47.2 -62.6 -42.6 36.3 10.4 -4.2 698 209 C L H >X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 3,-0.7 0.971 110.1 51.5 -61.6 -55.7 35.5 9.7 -0.5 699 210 C A H 3X S+ 0 0 40 -4,-2.6 4,-2.3 1,-0.3 -1,-0.2 0.878 110.3 50.8 -49.4 -42.7 37.7 6.6 -0.4 700 211 C D H 3X S+ 0 0 68 -4,-2.0 4,-1.8 2,-0.2 -1,-0.3 0.839 109.4 49.3 -66.2 -36.7 40.5 8.6 -1.8 701 212 C F H