==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JAN-10 2X3A . COMPND 2 MOLECULE: TOXIC EXTRACELLULAR ENDOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROMONAS SALMONICIDA SUBSP. ACHROMOGE . AUTHOR X.BOGDANOVIC,G.J.PALM,R.K.SINGH,W.HINRICHS . 293 4 2 1 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14285.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 22 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 1 0 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 2 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 23 A G 0 0 62 0, 0.0 24,-2.0 0, 0.0 25,-0.8 0.000 360.0 360.0 360.0-169.3 74.6 52.1 26.9 2 24 A L E -A 24 0A 36 22,-0.2 2,-0.4 23,-0.1 22,-0.2 -0.973 360.0-168.8-122.2 123.5 71.4 53.4 25.3 3 25 A D E -A 23 0A 96 20,-2.4 20,-2.3 -2,-0.5 2,-0.5 -0.905 2.8-164.3-112.0 137.3 71.5 54.3 21.7 4 26 A A E -A 22 0A 17 -2,-0.4 109,-0.8 107,-0.3 2,-0.5 -0.967 5.8-175.8-126.6 121.1 68.7 56.2 20.0 5 27 A Q E -A 21 0A 98 16,-3.5 16,-3.1 -2,-0.5 2,-0.4 -0.968 5.3-164.9-119.5 124.8 68.4 56.3 16.2 6 28 A L E +A 20 0A 1 -2,-0.5 2,-0.3 14,-0.2 14,-0.2 -0.880 9.3 178.8-106.8 133.4 65.8 58.4 14.5 7 29 A T E -A 19 0A 57 12,-2.5 12,-2.6 -2,-0.4 2,-0.3 -0.985 28.7-117.5-131.6 149.4 64.9 57.9 10.8 8 30 A L E -A 18 0A 62 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.632 25.7-132.3 -80.7 139.1 62.3 59.7 8.6 9 31 A V - 0 0 35 8,-2.5 2,-0.4 -2,-0.3 8,-0.4 -0.795 18.5-132.0 -90.6 132.3 59.4 57.5 7.2 10 32 A D + 0 0 150 -2,-0.4 2,-0.3 6,-0.1 6,-0.0 -0.686 46.8 134.0 -85.4 130.9 58.8 58.0 3.5 11 33 A G - 0 0 47 -2,-0.4 6,-0.0 2,-0.2 0, 0.0 -0.937 56.4-115.8-161.9 175.0 55.2 58.5 2.6 12 34 A S S S+ 0 0 130 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 0.155 82.6 86.9-118.2 19.8 53.1 60.9 0.4 13 35 A T S S- 0 0 66 2,-0.1 -2,-0.2 1,-0.0 128,-0.0 -0.533 90.7-109.0 -88.0 177.6 50.9 62.7 2.9 14 36 A D S S+ 0 0 63 -2,-0.2 127,-0.2 2,-0.1 107,-0.2 0.349 80.4 122.0 -84.9 5.8 52.3 65.9 4.4 15 37 A D - 0 0 44 126,-0.1 2,-0.7 125,-0.1 -4,-0.1 -0.301 61.0-137.6 -68.4 159.9 52.7 64.1 7.8 16 38 A V + 0 0 7 -6,-0.0 71,-3.3 2,-0.0 72,-0.4 -0.857 30.5 174.6-119.9 87.4 56.0 63.9 9.4 17 39 A R E - B 0 86A 60 -2,-0.7 -8,-2.5 -8,-0.4 2,-0.3 -0.822 6.4-171.7 -96.2 145.1 56.4 60.3 10.8 18 40 A V E -AB 8 85A 0 67,-2.6 67,-2.6 -2,-0.4 2,-0.5 -0.963 19.8-137.7-133.4 149.0 59.6 59.1 12.3 19 41 A N E -AB 7 84A 44 -12,-2.6 -12,-2.5 -2,-0.3 2,-0.6 -0.939 18.4-162.4-106.0 124.8 60.9 55.7 13.5 20 42 A L E -AB 6 83A 0 63,-2.7 63,-2.7 -2,-0.5 2,-0.6 -0.951 2.6-166.0-111.0 116.7 62.8 55.9 16.7 21 43 A T E -AB 5 82A 31 -16,-3.1 -16,-3.5 -2,-0.6 2,-0.4 -0.954 2.2-169.4-104.1 119.8 65.0 52.9 17.5 22 44 A L E -AB 4 81A 0 59,-3.1 59,-3.2 -2,-0.6 2,-0.4 -0.948 9.3-170.6-106.3 134.7 66.2 52.6 21.0 23 45 A T E -AB 3 80A 30 -20,-2.3 -20,-2.4 -2,-0.4 2,-1.0 -0.991 24.5-143.0-136.2 125.2 68.9 50.0 21.7 24 46 A N E +A 2 0A 1 55,-2.6 54,-1.6 -2,-0.4 -22,-0.2 -0.795 22.4 177.3 -81.8 103.8 70.4 48.6 24.8 25 47 A T + 0 0 71 -24,-2.0 -1,-0.2 -2,-1.0 -23,-0.1 0.485 52.6 88.0 -86.6 -6.7 74.0 48.1 23.7 26 48 A G S S- 0 0 19 -25,-0.8 52,-0.8 2,-0.2 4,-0.1 -0.057 86.1-109.6 -86.7-168.2 75.0 47.0 27.2 27 49 A D S S+ 0 0 149 50,-0.2 50,-0.2 2,-0.1 -1,-0.1 0.475 92.4 53.0-104.5 -8.5 75.1 43.6 28.8 28 50 A K S S- 0 0 161 48,-0.1 -2,-0.2 47,-0.0 50,-0.2 -0.876 94.0 -91.0-125.7 153.0 72.3 43.8 31.4 29 51 A P - 0 0 69 0, 0.0 2,-0.3 0, 0.0 47,-0.2 -0.309 40.9-156.1 -59.4 150.2 68.6 44.8 30.9 30 52 A I E -C 75 0B 21 45,-2.4 45,-3.0 -4,-0.1 2,-0.5 -0.892 10.4-126.4-124.8 163.5 67.8 48.5 31.4 31 53 A R E -C 74 0B 90 -2,-0.3 2,-0.5 43,-0.2 43,-0.2 -0.921 17.8-160.7-115.3 132.3 64.6 50.2 32.3 32 54 A L E -C 73 0B 0 41,-3.3 41,-4.6 -2,-0.5 2,-0.4 -0.948 26.9-115.0-114.7 127.4 63.1 53.0 30.2 33 55 A L E > -C 72 0B 11 74,-3.0 3,-1.6 -2,-0.5 39,-0.2 -0.459 22.4-150.3 -59.7 115.3 60.5 55.5 31.6 34 56 A K G > S+ 0 0 102 37,-2.9 3,-1.8 -2,-0.4 -1,-0.2 0.828 92.1 65.0 -61.3 -31.7 57.4 54.8 29.5 35 57 A W G 3 S+ 0 0 52 36,-0.4 -1,-0.3 1,-0.3 4,-0.1 0.706 101.2 51.7 -65.3 -21.6 56.2 58.4 29.7 36 58 A Q G < S+ 0 0 70 -3,-1.6 -1,-0.3 71,-0.1 -2,-0.2 0.299 91.6 85.7-101.0 9.3 59.3 59.5 27.8 37 59 A L S < S- 0 0 19 -3,-1.8 68,-0.0 -4,-0.1 8,-0.0 -0.853 97.8 -95.6 -98.7 144.4 58.8 57.0 24.9 38 60 A P S S+ 0 0 16 0, 0.0 2,-0.3 0, 0.0 4,-0.1 -0.348 71.5 123.4 -61.5 141.3 56.4 58.4 22.2 39 61 A G S S- 0 0 43 2,-0.4 4,-0.1 -4,-0.1 -4,-0.0 -0.905 73.0 -49.9-174.8-164.5 52.9 57.2 22.7 40 62 A S S S+ 0 0 105 -2,-0.3 2,-0.4 2,-0.1 0, 0.0 0.648 109.0 75.6 -73.8 -15.7 49.2 58.1 23.2 41 63 A D S S- 0 0 90 1,-0.0 -2,-0.4 21,-0.0 2,-0.2 -0.836 86.7-117.7 -94.8 135.9 50.0 60.6 26.1 42 64 A D + 0 0 28 -2,-0.4 20,-0.4 -4,-0.1 -2,-0.1 -0.487 45.8 146.0 -71.6 136.2 51.4 64.0 25.1 43 65 A A - 0 0 29 -2,-0.2 2,-1.8 -4,-0.1 3,-0.2 -0.931 56.4-104.1-156.8 158.5 54.9 65.2 26.3 44 66 A P + 0 0 60 0, 0.0 -2,-0.0 0, 0.0 13,-0.0 -0.551 56.2 151.5 -85.2 87.3 57.5 67.3 24.6 45 67 A L + 0 0 19 -2,-1.8 59,-2.9 58,-0.1 2,-0.3 0.694 50.3 64.9 -93.0 -14.1 59.9 64.5 23.6 46 68 A F E -D 103 0C 13 57,-0.2 2,-0.7 -3,-0.2 57,-0.2 -0.807 67.6-138.0-114.6 151.1 61.4 66.1 20.5 47 69 A L E -D 102 0C 67 55,-3.1 55,-1.8 -2,-0.3 2,-0.5 -0.940 31.7-176.5 -99.3 111.0 63.6 69.1 19.8 48 70 A V E +D 101 0C 6 -2,-0.7 7,-1.9 7,-0.3 2,-0.3 -0.970 4.1 175.0-114.9 126.0 62.1 70.6 16.6 49 71 A E E -DE 100 54C 68 51,-2.3 51,-2.1 -2,-0.5 2,-0.5 -0.974 21.2-152.3-130.8 147.5 63.7 73.6 14.9 50 72 A R E > S-DE 99 53C 84 3,-3.2 3,-2.0 -2,-0.3 49,-0.2 -0.992 87.3 -14.8-119.5 119.8 63.0 75.4 11.7 51 73 A D T 3 S- 0 0 93 47,-3.0 -1,-0.2 -2,-0.5 48,-0.1 0.907 132.5 -51.9 57.4 44.6 66.0 77.1 10.2 52 74 A G T 3 S+ 0 0 51 46,-0.3 -1,-0.3 1,-0.2 47,-0.1 0.435 118.0 110.2 71.7 0.8 67.8 76.6 13.5 53 75 A Q E < S-E 50 0C 103 -3,-2.0 -3,-3.2 1,-0.0 -1,-0.2 -0.936 72.9-114.1-110.3 128.0 65.0 78.2 15.6 54 76 A P E -E 49 0C 98 0, 0.0 -5,-0.3 0, 0.0 2,-0.2 -0.222 29.8-148.2 -50.6 135.6 62.8 76.1 18.0 55 77 A V - 0 0 31 -7,-1.9 -7,-0.3 1,-0.1 38,-0.1 -0.687 32.3 -75.5-100.2 168.2 59.1 75.9 17.0 56 78 A S - 0 0 69 -2,-0.2 36,-2.3 36,-0.2 2,-0.4 -0.320 33.1-127.5 -63.0 140.0 56.2 75.6 19.4 57 79 A Y B -G 91 0D 53 34,-0.2 34,-0.3 1,-0.1 -1,-0.1 -0.730 24.5-172.8 -74.0 134.6 55.2 72.5 21.3 58 80 A E + 0 0 58 32,-3.2 80,-0.3 -2,-0.4 79,-0.2 0.150 47.5 92.6-119.4 11.1 51.6 72.0 20.5 59 81 A G S S- 0 0 21 31,-0.6 2,-0.1 1,-0.1 31,-0.1 -0.433 78.0 -87.2-100.1-176.7 50.6 69.0 22.8 60 82 A A - 0 0 53 -2,-0.1 2,-0.5 -17,-0.1 -1,-0.1 -0.388 29.0-131.1 -85.1 167.1 49.2 68.9 26.4 61 83 A L - 0 0 140 -2,-0.1 2,-0.4 -18,-0.1 -18,-0.1 -0.989 23.8-157.3-122.9 127.4 51.2 68.9 29.6 62 84 A I - 0 0 79 -2,-0.5 2,-0.6 -20,-0.4 -21,-0.0 -0.812 14.7-137.1-107.5 136.9 50.3 66.3 32.2 63 85 A K + 0 0 193 -2,-0.4 2,-0.3 0, 0.0 -2,-0.0 -0.847 33.8 170.5 -84.3 122.1 50.8 66.1 36.0 64 86 A R - 0 0 83 -2,-0.6 2,-0.0 1,-0.0 -2,-0.0 -0.909 31.4-119.1-123.4 152.2 52.1 62.7 36.9 65 87 A A - 0 0 76 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 -0.287 56.4 -64.2 -76.6 179.0 53.4 61.6 40.3 66 88 A A S S- 0 0 86 1,-0.1 -1,-0.2 -2,-0.0 2,-0.1 -0.318 70.6-102.3 -57.0 143.0 57.0 60.3 40.6 67 89 A P - 0 0 53 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.399 35.0-155.7 -73.7 153.7 57.1 57.0 38.6 68 90 A T > - 0 0 71 -3,-0.1 3,-2.6 -2,-0.1 4,-0.3 -0.655 42.8 -80.1-113.4 174.9 57.0 53.6 40.2 69 91 A D G > S+ 0 0 114 1,-0.3 3,-1.8 -2,-0.2 -1,-0.0 0.844 126.8 60.2 -43.3 -46.2 58.3 50.2 39.0 70 92 A K G 3 S+ 0 0 147 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.683 94.8 65.6 -59.9 -19.1 55.2 49.7 36.7 71 93 A D G < S+ 0 0 38 -3,-2.6 -37,-2.9 2,-0.0 2,-0.4 0.541 86.4 85.5 -86.6 -1.7 56.0 52.9 34.8 72 94 A F E < -C 33 0B 34 -3,-1.8 2,-0.4 -4,-0.3 -39,-0.3 -0.830 67.6-140.4-105.2 136.7 59.3 51.6 33.3 73 95 A Q E -C 32 0B 74 -41,-4.6 -41,-3.3 -2,-0.4 2,-0.4 -0.787 20.8-132.7 -89.8 130.6 59.8 49.6 30.1 74 96 A L E -C 31 0B 92 -2,-0.4 2,-0.5 -43,-0.2 -43,-0.2 -0.665 19.1-170.4 -84.0 130.7 62.4 46.8 30.2 75 97 A L E -C 30 0B 1 -45,-3.0 -45,-2.4 -2,-0.4 3,-0.1 -0.982 19.1-138.5-117.5 117.2 64.9 46.6 27.3 76 98 A K > - 0 0 131 -2,-0.5 3,-2.1 -47,-0.2 -52,-0.3 -0.180 37.5 -73.9 -68.7 167.9 67.0 43.5 27.4 77 99 A A T 3 S+ 0 0 45 1,-0.3 -50,-0.2 -50,-0.2 -52,-0.2 -0.307 121.9 8.5 -59.0 132.9 70.8 43.4 26.6 78 100 A G T 3 S+ 0 0 57 -54,-1.6 -1,-0.3 -52,-0.8 2,-0.1 0.300 102.5 136.6 83.5 -13.7 71.3 43.8 22.9 79 101 A Q < - 0 0 73 -3,-2.1 -55,-2.6 -56,-0.1 2,-0.4 -0.413 39.1-158.2 -92.2 147.7 67.7 44.6 22.4 80 102 A S E -B 23 0A 64 -57,-0.2 2,-0.5 -2,-0.1 -57,-0.3 -0.908 2.7-163.3-113.7 145.3 66.1 47.3 20.2 81 103 A L E -B 22 0A 42 -59,-3.2 -59,-3.1 -2,-0.4 2,-0.5 -0.997 8.5-160.8-123.6 130.3 62.7 48.8 20.5 82 104 A T E +B 21 0A 82 -2,-0.5 2,-0.4 -61,-0.2 -61,-0.2 -0.952 12.2 176.2-113.9 126.1 61.3 50.7 17.5 83 105 A V E -B 20 0A 36 -63,-2.7 -63,-2.7 -2,-0.5 2,-0.4 -0.996 19.4-141.6-127.4 134.7 58.5 53.2 18.0 84 106 A Q E -B 19 0A 112 -2,-0.4 2,-0.3 -65,-0.2 -65,-0.2 -0.769 17.9-174.2 -95.5 140.2 57.0 55.4 15.4 85 107 A A E -B 18 0A 14 -67,-2.6 -67,-2.6 -2,-0.4 2,-0.6 -0.981 22.8-140.5-128.7 147.5 55.8 59.0 16.1 86 108 A E E -B 17 0A 45 -2,-0.3 -69,-0.3 -69,-0.2 3,-0.1 -0.946 21.4-173.4-102.9 121.4 54.0 61.6 13.9 87 109 A V >> + 0 0 2 -71,-3.3 3,-1.6 -2,-0.6 4,-1.3 0.770 69.1 68.1 -92.2 -28.8 55.7 64.9 14.8 88 110 A S T 34>S+ 0 0 0 -72,-0.4 5,-0.5 1,-0.3 -1,-0.2 0.771 96.3 58.2 -68.9 -19.3 53.6 67.5 12.9 89 111 A G T 345S+ 0 0 4 49,-0.2 49,-0.5 1,-0.2 50,-0.3 0.590 114.5 35.9 -85.4 -6.3 50.6 66.9 15.3 90 112 A L T <45S+ 0 0 26 -3,-1.6 -32,-3.2 48,-0.2 -31,-0.6 0.475 118.4 43.4-126.4 -10.4 52.7 67.8 18.4 91 113 A Y B <5S-G 57 0D 10 -4,-1.3 2,-1.2 -34,-0.3 -34,-0.2 -0.934 92.1-101.5-132.8 158.0 55.0 70.6 17.2 92 114 A D T 5 + 0 0 44 -36,-2.3 3,-0.3 -2,-0.3 -36,-0.2 -0.689 52.4 154.2 -82.7 95.6 54.2 73.6 15.1 93 115 A M < + 0 0 0 -2,-1.2 28,-0.2 -5,-0.5 -1,-0.1 -0.158 34.3 115.1-114.7 35.9 55.5 72.6 11.7 94 116 A S + 0 0 9 27,-0.2 28,-2.5 33,-0.1 2,-0.4 0.694 54.3 80.2 -77.5 -26.4 53.0 74.8 9.8 95 117 A A S S- 0 0 42 -3,-0.3 26,-0.2 26,-0.2 24,-0.1 -0.734 86.6-112.8 -87.1 137.7 55.6 77.2 8.3 96 118 A Q + 0 0 85 -2,-0.4 2,-0.3 24,-0.3 24,-0.2 -0.355 66.7 86.6 -56.6 140.0 57.5 76.2 5.2 97 119 A G E S- F 0 119C 1 22,-2.2 22,-3.3 -4,-0.1 2,-0.6 -0.956 78.1 -48.4 156.1-171.9 61.2 75.6 5.7 98 120 A Q E - 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K 0 216F 0 -21,-2.7 -18,-0.5 -2,-0.6 -12,-0.3 -0.699 14.8-169.1 -90.6 138.1 36.3 66.5 14.6 229 273 A b >> - 0 0 0 -14,-2.6 3,-1.9 -2,-0.3 4,-1.0 -0.571 41.7 -74.3-117.8-179.2 35.5 62.9 14.8 230 274 A K H 3> S+ 0 0 106 -18,-1.8 4,-1.5 1,-0.3 3,-0.3 0.805 124.2 55.6 -50.9 -39.5 35.7 59.9 12.4 231 275 A S H 3> S+ 0 0 30 -17,-2.5 4,-0.6 -19,-0.3 -1,-0.3 0.710 98.2 64.2 -74.1 -14.1 32.8 60.8 10.1 232 276 A F H X4 S+ 0 0 0 -3,-1.9 3,-0.8 -18,-0.5 -1,-0.2 0.948 105.4 44.5 -65.5 -46.7 34.3 64.2 9.5 233 277 A W H 3< S+ 0 0 55 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.807 113.9 48.9 -69.7 -32.4 37.3 62.6 7.8 234 278 A T H 3< S+ 0 0 113 -4,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.576 95.3 95.9 -81.4 -9.3 35.2 60.1 5.8 235 279 A A S << S- 0 0 11 -3,-0.8 7,-0.1 -4,-0.6 6,-0.1 -0.535 83.7-106.6 -82.4 152.4 32.9 62.9 4.6 236 280 A P - 0 0 73 0, 0.0 7,-2.6 0, 0.0 8,-0.3 -0.321 29.5-116.3 -64.5 155.7 33.3 64.7 1.2 237 281 A V S S+ 0 0 54 5,-0.2 7,-2.5 6,-0.2 8,-0.3 0.950 96.0 12.7 -64.1 -44.0 34.7 68.2 1.4 238 282 A T S S+ 0 0 84 5,-0.2 2,-0.2 4,-0.2 -1,-0.1 -0.846 99.0 52.1-129.3 167.3 31.4 69.6 -0.0 239 283 A G S > S- 0 0 18 -2,-0.3 3,-0.9 3,-0.1 6,-0.3 -0.663 97.0 -1.4 107.3-158.7 27.8 68.3 -0.7 240 284 A S T 3 S- 0 0 44 1,-0.3 3,-0.1 -2,-0.2 50,-0.1 -0.347 134.9 -4.6 -69.4 128.9 25.5 66.6 1.7 241 285 A D T 3 S+ 0 0 53 -2,-0.1 -1,-0.3 1,-0.1 2,-0.1 0.928 102.1 159.9 54.0 51.3 26.8 65.9 5.2 242 286 A S <> - 0 0 1 -3,-0.9 4,-2.0 -7,-0.1 -5,-0.2 -0.358 58.2-104.6-105.0 173.4 30.1 67.3 4.1 243 287 A R H > S+ 0 0 30 -7,-2.6 4,-1.8 2,-0.2 -6,-0.2 0.889 123.4 49.0 -60.8 -44.7 33.1 68.7 5.9 244 288 A A H > S+ 0 0 0 -7,-2.5 4,-1.6 -8,-0.3 3,-0.3 0.946 113.0 47.5 -63.1 -51.1 32.1 72.2 4.9 245 289 A G H > S+ 0 0 0 -6,-0.3 4,-2.4 -8,-0.3 -1,-0.2 0.791 107.3 57.1 -59.1 -37.0 28.5 71.6 6.1 246 290 A T H X S+ 0 0 5 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.872 104.4 52.0 -60.0 -41.0 29.8 70.1 9.4 247 291 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 -3,-0.3 5,-0.3 0.912 110.2 47.8 -64.1 -40.4 31.7 73.3 10.1 248 292 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.952 112.9 50.6 -63.2 -45.9 28.5 75.3 9.5 249 293 A H H X S+ 0 0 32 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.940 115.0 41.2 -51.7 -59.3 26.5 72.9 11.8 250 294 A Q H >X S+ 0 0 9 -4,-2.8 3,-1.2 1,-0.2 4,-0.5 0.914 113.1 51.8 -63.7 -45.5 29.0 73.0 14.7 251 295 A L H >< S+ 0 0 3 -4,-2.5 3,-1.4 1,-0.3 7,-0.5 0.899 103.6 61.4 -58.8 -38.5 29.7 76.8 14.5 252 296 A S H 3< S+ 0 0 0 -4,-2.3 8,-2.3 -5,-0.3 6,-0.6 0.780 95.3 62.3 -59.8 -25.1 25.9 77.3 14.6 253 297 A H H << S+ 0 0 23 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.711 76.8 106.4 -72.6 -24.3 25.7 75.6 18.0 254 298 A F S XX>S- 0 0 0 -3,-1.4 5,-2.6 -4,-0.5 3,-2.1 -0.348 73.3-133.2 -66.1 139.2 27.9 78.2 19.8 255 299 A N T 345S+ 0 0 111 -35,-2.5 -1,-0.2 1,-0.3 -34,-0.1 0.844 108.9 51.2 -57.3 -33.3 26.0 80.5 22.1 256 300 A V T 345S+ 0 0 74 -36,-0.4 -1,-0.3 2,-0.1 -2,-0.1 0.390 117.2 40.8 -85.9 2.6 27.9 83.5 20.7 257 301 A V T <45S- 0 0 7 -3,-2.1 -2,-0.2 -5,-0.1 -5,-0.2 0.688 136.8 -40.0-111.2 -78.6 27.0 82.4 17.1 258 302 A A T <5 - 0 0 21 -4,-1.0 -3,-0.2 -6,-0.6 -5,-0.1 0.411 60.6-134.9-133.4 -4.2 23.5 81.1 16.6 259 303 A G < + 0 0 28 -5,-2.6 -6,-0.2 -8,-0.3 -4,-0.1 0.787 40.6 177.7 58.3 28.0 22.8 79.0 19.7 260 304 A T - 0 0 8 -8,-2.3 2,-0.2 -6,-0.2 24,-0.2 -0.271 16.4-131.9 -66.5 154.5 21.3 76.2 17.6 261 305 A D B -l 284 0G 79 22,-3.5 24,-2.6 19,-0.2 2,-0.9 -0.555 16.8-113.8 -98.9 165.6 20.0 73.1 19.1 262 306 A D + 0 0 78 -2,-0.2 3,-0.1 22,-0.2 22,-0.1 -0.886 44.2 162.3 -90.2 92.7 20.2 69.5 18.6 263 307 A L - 0 0 54 -2,-0.9 2,-0.2 1,-0.4 -1,-0.1 -0.287 67.7 -53.4-111.3 43.4 16.5 68.8 17.6 264 308 A G - 0 0 21 22,-0.0 -1,-0.4 6,-0.0 2,-0.4 -0.532 68.9 -86.0 104.1-177.8 17.2 65.3 16.1 265 309 A Y + 0 0 173 -2,-0.2 4,-0.4 -3,-0.1 3,-0.1 -0.987 68.2 19.3-138.6 129.4 19.6 64.2 13.4 266 310 A G S > S- 0 0 23 -2,-0.4 4,-2.6 1,-0.1 5,-0.1 -0.087 81.9 -68.5 102.8 162.8 19.6 64.1 9.6 267 311 A Q H > S+ 0 0 57 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.880 125.2 47.9 -60.4 -48.4 18.0 65.4 6.4 268 312 A A H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.931 112.9 49.8 -64.8 -43.8 14.5 63.8 6.8 269 313 A N H > S+ 0 0 48 -4,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.956 113.8 46.9 -48.5 -53.8 14.4 65.0 10.4 270 314 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.911 111.8 49.1 -60.4 -49.3 15.3 68.5 9.2 271 315 A R H X S+ 0 0 109 -4,-3.4 4,-2.1 1,-0.2 -1,-0.2 0.865 111.0 50.7 -59.1 -36.0 12.8 68.4 6.4 272 316 A N H X S+ 0 0 88 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.910 107.7 52.9 -71.7 -41.7 10.0 67.3 8.8 273 317 A L H X S+ 0 0 13 -4,-2.5 4,-4.0 -5,-0.2 8,-0.4 0.948 109.7 49.1 -51.0 -52.8 10.9 70.1 11.2 274 318 A A H < S+ 0 0 3 -4,-2.2 -95,-0.5 -99,-0.2 -2,-0.2 0.917 118.7 38.1 -54.6 -47.1 10.6 72.7 8.4 275 319 A K H < S+ 0 0 175 -4,-2.1 -1,-0.2 -100,-0.2 -2,-0.2 0.867 128.7 34.6 -72.7 -35.8 7.2 71.3 7.2 276 320 A T H < S+ 0 0 91 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.832 133.7 5.2 -92.2 -35.8 6.0 70.6 10.7 277 321 A D >X - 0 0 55 -4,-4.0 4,-1.9 -5,-0.3 3,-1.3 -0.594 55.5-172.6-164.9 75.9 7.3 73.3 13.0 278 322 A P H 3> S+ 0 0 26 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.736 86.9 60.2 -52.3 -32.1 9.3 76.1 11.4 279 323 A V H 34 S+ 0 0 79 1,-0.2 4,-0.5 2,-0.2 -5,-0.1 0.871 107.5 45.0 -68.9 -36.5 10.3 77.6 14.8 280 324 A K H X4 S+ 0 0 104 -3,-1.3 3,-0.7 -7,-0.2 -1,-0.2 0.879 110.8 53.4 -69.5 -40.8 12.1 74.3 15.6 281 325 A A H >< S+ 0 0 0 -4,-1.9 3,-2.2 -8,-0.4 6,-0.2 0.966 106.3 53.5 -58.3 -49.1 13.7 74.2 12.2 282 326 A L T 3< S+ 0 0 10 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.703 112.0 46.9 -56.0 -20.4 15.0 77.7 12.7 283 327 A N T < S+ 0 0 67 -3,-0.7 -22,-3.5 -4,-0.5 2,-0.5 0.243 93.1 98.4-106.5 7.9 16.5 76.4 16.0 284 328 A N B <> -l 261 0G 1 -3,-2.2 4,-1.4 -24,-0.2 3,-0.2 -0.870 62.2-148.6-104.8 130.4 18.1 73.3 14.6 285 329 A A H > S+ 0 0 0 -24,-2.6 4,-2.4 -2,-0.5 3,-0.4 0.934 98.9 54.4 -57.3 -50.2 21.9 73.0 13.6 286 330 A D H > S+ 0 0 10 -25,-0.3 4,-3.3 -22,-0.3 5,-0.3 0.881 102.7 55.2 -53.8 -40.5 21.1 70.5 10.7 287 331 A N H > S+ 0 0 0 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.914 110.0 48.2 -62.8 -36.8 18.6 72.8 9.1 288 332 A H H X S+ 0 0 0 -4,-1.4 4,-2.5 -3,-0.4 -2,-0.2 0.942 112.5 47.5 -64.3 -50.8 21.3 75.4 8.9 289 333 A E H X S+ 0 0 5 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.903 114.9 45.8 -54.9 -48.4 23.9 73.0 7.5 290 334 A Y H X S+ 0 0 4 -4,-3.3 4,-2.2 2,-0.2 5,-0.3 0.868 109.6 53.8 -72.1 -30.7 21.4 71.7 4.9 291 335 A F H < S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.960 114.6 42.0 -64.5 -48.1 20.3 75.1 3.9 292 336 A A H < S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.919 113.4 51.3 -61.9 -42.6 24.0 76.1 3.3 293 337 A E H < S- 0 0 13 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.879 78.1-176.9 -65.5 -36.1 24.9 72.8 1.6 294 338 A N < - 0 0 64 -4,-2.2 -3,-0.1 -5,-0.2 -1,-0.1 0.852 14.7-169.2 42.5 47.0 21.9 73.2 -0.8 295 339 A T 0 0 59 1,-0.5 -1,-0.2 -5,-0.3 -2,-0.1 -0.912 360.0 360.0-117.8 104.4 22.8 69.9 -2.3 296 340 A P 0 0 159 0, 0.0 -1,-0.5 0, 0.0 -2,-0.1 -0.881 360.0 360.0 -90.4 360.0 21.1 69.8 -4.6