==== 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 ATP BINDING PROTEIN 27-JAN-10 3LKV . COMPND 2 MOLECULE: UNCHARACTERIZED CONSERVED DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR B.NOCEK,E.DUGGAN,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR . 297 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 77.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.7 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 . 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 . 25 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.7 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 2 2 0 0 1 2 1 1 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 1 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 PARALLEL BRIDGES PER LADDER . 0 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 26 A K 0 0 250 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -33.3 67.6 101.0 19.9 2 27 A T - 0 0 76 36,-0.0 2,-0.3 30,-0.0 36,-0.2 -0.809 360.0-129.4 -78.1 125.4 68.1 98.7 22.9 3 28 A A E -a 38 0A 8 34,-2.7 36,-2.9 -2,-0.5 2,-0.6 -0.598 17.9-151.6 -73.6 136.5 70.3 95.8 21.7 4 29 A K E +a 39 0A 32 -2,-0.3 62,-1.8 34,-0.2 61,-1.7 -0.944 17.0 177.7-115.9 113.6 68.7 92.4 22.7 5 30 A V E -ab 40 66A 0 34,-2.7 36,-2.5 -2,-0.6 2,-0.5 -0.978 9.9-162.9-118.7 124.0 71.2 89.6 23.2 6 31 A A E -ab 41 67A 1 60,-2.3 62,-2.8 -2,-0.5 2,-0.5 -0.952 6.3-160.5-117.0 124.9 69.9 86.2 24.3 7 32 A V E -ab 42 68A 0 34,-3.0 36,-2.3 -2,-0.5 2,-0.5 -0.910 6.8-171.0-115.5 120.6 72.4 83.7 25.7 8 33 A S E -ab 43 69A 0 60,-2.9 62,-2.8 -2,-0.5 2,-0.4 -0.963 6.1-177.7-114.2 133.3 71.8 80.0 26.0 9 34 A Q E -ab 44 70A 0 34,-2.2 36,-2.3 -2,-0.5 37,-0.3 -0.978 27.9-137.0-135.2 132.1 74.2 77.8 27.9 10 35 A I S S- 0 0 7 60,-1.3 37,-3.3 -2,-0.4 38,-0.3 0.873 81.2 -21.5 -61.6 -39.8 74.0 74.0 28.3 11 36 A V - 0 0 22 35,-0.2 2,-0.9 34,-0.2 -1,-0.2 -0.977 69.8 -96.6-162.0 155.5 74.8 74.0 32.0 12 37 A E + 0 0 98 -2,-0.3 3,-0.0 -3,-0.1 32,-0.0 -0.800 57.6 143.3 -82.2 103.5 76.5 76.2 34.7 13 38 A H >> - 0 0 5 -2,-0.9 4,-2.2 1,-0.0 3,-0.7 -0.949 62.5-101.7-131.3 158.0 80.1 75.0 35.1 14 39 A P H 3> S+ 0 0 62 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.827 116.3 52.7 -54.4 -39.7 82.9 77.4 35.8 15 40 A A H 3> S+ 0 0 5 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.913 114.1 43.0 -59.6 -42.8 84.4 77.6 32.3 16 41 A L H <> S+ 0 0 0 -3,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.881 112.3 53.1 -74.4 -33.7 81.1 78.5 30.7 17 42 A D H X S+ 0 0 52 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.836 109.0 50.0 -65.4 -34.0 80.2 80.9 33.5 18 43 A A H X S+ 0 0 34 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.875 109.2 52.2 -71.0 -37.8 83.5 82.7 32.9 19 44 A T H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.941 110.5 48.0 -60.8 -45.0 82.8 82.8 29.2 20 45 A R H X S+ 0 0 49 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.879 111.5 48.8 -64.8 -39.9 79.4 84.4 29.9 21 46 A Q H X S+ 0 0 92 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.898 110.2 53.1 -65.5 -41.1 80.9 87.0 32.3 22 47 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.892 107.7 50.6 -58.8 -40.3 83.5 87.8 29.7 23 48 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.922 110.7 48.7 -62.6 -48.8 80.9 88.4 27.1 24 49 A L H X S+ 0 0 36 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.916 114.8 44.1 -56.8 -48.0 79.0 90.7 29.4 25 50 A D H X S+ 0 0 54 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.889 112.7 52.2 -69.1 -37.5 82.1 92.7 30.3 26 51 A G H X S+ 0 0 6 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.897 108.0 51.2 -66.4 -38.0 83.3 92.9 26.7 27 52 A L H <>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 3,-0.4 0.946 108.7 52.6 -64.3 -41.6 79.8 94.2 25.6 28 53 A K H ><5S+ 0 0 120 -4,-2.1 3,-2.2 1,-0.2 -2,-0.2 0.941 106.5 51.4 -56.2 -50.3 80.1 96.9 28.3 29 54 A A H 3<5S+ 0 0 94 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.809 107.5 55.2 -60.2 -26.2 83.5 97.9 27.0 30 55 A K T 3<5S- 0 0 102 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.354 129.6 -96.1 -85.1 8.0 81.9 98.2 23.5 31 56 A G T < 5S+ 0 0 44 -3,-2.2 2,-0.7 1,-0.2 -3,-0.2 0.565 88.2 123.9 87.4 9.8 79.2 100.6 24.8 32 57 A Y < + 0 0 35 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.2 -0.898 37.0 176.6-105.0 108.9 76.4 98.0 25.5 33 58 A E >>> - 0 0 65 -2,-0.7 3,-2.1 -3,-0.1 5,-1.4 -0.944 32.5-118.3-121.5 133.8 75.4 98.2 29.2 34 59 A E B 345S+c 38 0A 104 -2,-0.4 5,-0.2 1,-0.3 3,-0.1 -0.311 103.5 28.4 -64.0 139.2 72.7 96.4 31.0 35 60 A G T 345S+ 0 0 82 3,-1.0 -1,-0.3 1,-0.1 4,-0.1 0.200 125.7 47.0 91.9 -18.3 70.1 98.8 32.3 36 61 A K T <45S- 0 0 144 -3,-2.1 -2,-0.2 2,-0.3 -1,-0.1 0.651 131.6 -17.9-120.2 -76.9 70.8 101.4 29.5 37 62 A N T <5S+ 0 0 46 -4,-1.2 -34,-2.7 -6,-0.1 2,-0.4 0.178 114.2 78.1-126.0 15.3 70.9 100.1 26.0 38 63 A L E < -ac 3 34A 7 -5,-1.4 -3,-1.0 -36,-0.2 2,-0.6 -0.994 48.6-169.9-132.6 126.2 71.5 96.3 26.5 39 64 A E E -a 4 0A 77 -36,-2.9 -34,-2.7 -2,-0.4 2,-0.7 -0.985 15.6-172.5-108.1 117.4 68.9 93.7 27.4 40 65 A F E -a 5 0A 23 -2,-0.6 2,-0.3 -36,-0.2 -34,-0.2 -0.923 2.5-172.6-118.4 100.2 71.0 90.5 28.1 41 66 A D E -a 6 0A 43 -36,-2.5 -34,-3.0 -2,-0.7 2,-0.3 -0.790 3.0-170.8 -99.5 151.2 68.8 87.5 28.7 42 67 A Y E +a 7 0A 58 -2,-0.3 2,-0.3 -36,-0.2 -34,-0.2 -0.995 11.0 177.4-146.7 133.2 70.2 84.3 29.8 43 68 A K E -a 8 0A 89 -36,-2.3 -34,-2.2 -2,-0.3 2,-0.4 -0.994 15.1-150.7-140.1 139.1 68.9 80.7 30.2 44 69 A T E -a 9 0A 32 -2,-0.3 -34,-0.2 -36,-0.2 -33,-0.1 -0.888 9.9-149.0-105.5 140.8 70.7 77.5 31.3 45 70 A A > - 0 0 0 -36,-2.3 3,-2.5 -2,-0.4 6,-0.3 0.390 33.2-130.2 -83.5 1.0 69.5 74.1 30.0 46 71 A Q T 3 - 0 0 147 -37,-0.3 -35,-0.2 1,-0.3 -36,-0.1 0.857 67.1 -58.1 51.1 37.8 70.6 72.5 33.2 47 72 A G T 3 S+ 0 0 43 -37,-3.3 -1,-0.3 1,-0.2 -36,-0.1 0.422 107.3 131.2 79.1 -3.8 72.5 69.8 31.3 48 73 A N <> - 0 0 68 -3,-2.5 4,-2.1 -38,-0.3 -1,-0.2 -0.744 48.3-159.6 -90.8 122.2 69.3 68.8 29.5 49 74 A P H > S+ 0 0 90 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.776 96.8 54.0 -65.7 -26.4 69.4 68.5 25.7 50 75 A A H > S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.915 106.4 48.7 -73.5 -45.5 65.6 68.8 25.7 51 76 A I H > S+ 0 0 49 -6,-0.3 4,-2.9 1,-0.2 5,-0.2 0.890 104.5 61.7 -63.0 -37.9 65.7 72.1 27.6 52 77 A A H X S+ 0 0 1 -4,-2.1 4,-2.2 -7,-0.2 -1,-0.2 0.912 105.9 46.4 -51.8 -41.5 68.3 73.3 25.2 53 78 A V H X S+ 0 0 51 -4,-1.1 4,-2.5 -3,-0.3 -2,-0.2 0.944 112.5 49.2 -69.9 -42.7 65.7 72.9 22.5 54 79 A Q H X S+ 0 0 125 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.870 110.0 51.2 -65.1 -35.7 63.0 74.6 24.5 55 80 A I H X S+ 0 0 6 -4,-2.9 4,-3.2 2,-0.2 5,-0.3 0.950 109.2 50.9 -63.3 -48.1 65.3 77.5 25.3 56 81 A A H X S+ 0 0 1 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.926 112.5 46.5 -56.7 -44.9 66.1 77.9 21.6 57 82 A R H X S+ 0 0 169 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.893 114.2 46.7 -67.3 -40.3 62.4 78.0 20.6 58 83 A Q H < S+ 0 0 100 -4,-2.2 4,-0.5 -5,-0.2 -2,-0.2 0.943 114.5 47.3 -67.4 -46.2 61.5 80.4 23.4 59 84 A F H >< S+ 0 0 5 -4,-3.2 3,-1.6 1,-0.2 -2,-0.2 0.915 109.0 53.3 -63.8 -43.9 64.3 82.8 22.6 60 85 A V H >< S+ 0 0 31 -4,-2.7 3,-1.3 -5,-0.3 -1,-0.2 0.885 105.3 55.7 -59.4 -34.4 63.7 82.7 18.8 61 86 A G T 3< S+ 0 0 55 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.579 99.7 60.4 -73.8 -11.6 60.0 83.7 19.5 62 87 A E T < S- 0 0 79 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.185 103.5-130.1 -96.3 11.2 61.2 86.8 21.4 63 88 A N < - 0 0 126 -3,-1.3 -3,-0.1 -4,-0.1 2,-0.1 0.896 33.1-174.2 41.7 62.2 63.0 88.3 18.4 64 89 A P - 0 0 8 0, 0.0 -59,-0.2 0, 0.0 3,-0.1 -0.506 31.1-126.8 -77.2 162.3 66.4 89.1 19.9 65 90 A D S S+ 0 0 78 -61,-1.7 2,-0.4 1,-0.3 -60,-0.2 0.838 93.1 14.1 -74.1 -37.2 69.0 90.9 17.7 66 91 A V E -b 5 0A 0 -62,-1.8 -60,-2.3 19,-0.1 2,-0.4 -0.997 65.4-151.0-145.1 137.1 71.6 88.3 18.4 67 92 A L E -bd 6 87A 0 19,-3.0 21,-2.7 -2,-0.4 2,-0.5 -0.891 12.6-160.1-105.3 136.7 71.6 84.8 19.9 68 93 A V E -bd 7 88A 0 -62,-2.8 -60,-2.9 -2,-0.4 2,-0.7 -0.983 1.6-163.5-120.2 122.1 74.6 83.5 21.7 69 94 A G E -bd 8 89A 0 19,-1.9 21,-2.4 -2,-0.5 2,-0.8 -0.920 3.6-163.3-107.6 110.7 75.1 79.8 22.1 70 95 A I E +bd 9 90A 0 -62,-2.8 -60,-1.3 -2,-0.7 4,-0.2 -0.841 64.3 8.0 -95.9 115.6 77.7 79.0 24.8 71 96 A A S > S- 0 0 0 19,-2.4 4,-2.0 -2,-0.8 21,-0.2 0.071 93.0 -84.0 89.6 157.2 78.8 75.3 24.4 72 97 A T H > S+ 0 0 0 19,-0.3 4,-2.8 1,-0.2 5,-0.2 0.885 117.4 50.2 -66.2 -47.8 78.0 72.8 21.6 73 98 A P H > S+ 0 0 21 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.920 114.7 44.5 -66.5 -34.8 74.6 71.3 22.5 74 99 A T H > S+ 0 0 0 -4,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.921 113.4 51.7 -76.2 -35.8 72.9 74.7 23.1 75 100 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.929 108.2 52.5 -61.4 -43.0 74.5 76.1 19.9 76 101 A Q H X S+ 0 0 69 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.885 107.1 51.1 -60.9 -41.7 73.2 73.2 18.0 77 102 A A H X S+ 0 0 12 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.850 109.0 52.2 -65.2 -33.1 69.6 73.8 19.3 78 103 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.934 106.1 52.9 -66.9 -43.8 69.9 77.4 18.2 79 104 A V H < S+ 0 0 24 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.861 110.8 48.5 -61.0 -33.2 70.9 76.5 14.7 80 105 A S H < S+ 0 0 91 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.879 111.5 49.7 -71.0 -34.6 67.9 74.3 14.4 81 106 A A H < S+ 0 0 32 -4,-1.6 2,-0.3 1,-0.2 -2,-0.2 0.686 119.6 24.4 -85.9 -20.0 65.5 77.0 15.8 82 107 A T < + 0 0 9 -4,-1.8 -1,-0.2 -5,-0.1 28,-0.1 -0.957 41.0 178.6-149.9 138.6 66.6 79.7 13.4 83 108 A K S S+ 0 0 138 -2,-0.3 27,-0.2 -3,-0.1 28,-0.1 0.316 91.9 34.7-105.1 2.2 68.2 80.2 10.0 84 109 A T S S+ 0 0 116 26,-0.1 -2,-0.1 2,-0.1 3,-0.0 0.580 88.9 88.1-133.7 -36.2 68.1 84.0 10.0 85 110 A I S S- 0 0 22 1,-0.1 -19,-0.1 -19,-0.0 -20,-0.1 -0.649 91.5-102.6 -68.9 127.6 68.6 85.5 13.4 86 111 A P - 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0 0 19 -2,-0.3 3,-2.1 28,-0.2 6,-0.3 -0.927 15.0-159.7-108.8 111.1 79.5 61.7 26.6 143 168 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.692 89.6 68.6 -71.3 -12.0 78.9 60.3 23.1 144 169 A G T 3 S+ 0 0 64 1,-0.1 2,-0.7 4,-0.0 3,-0.1 0.537 86.2 81.2 -75.2 -8.4 75.8 62.6 22.9 145 170 A E X> - 0 0 11 -3,-2.1 4,-2.0 1,-0.2 3,-1.0 -0.860 67.7-157.5-104.2 114.2 78.2 65.6 22.8 146 171 A A H 3> S+ 0 0 24 -2,-0.7 4,-2.7 1,-0.3 5,-0.2 0.822 94.8 59.8 -60.1 -31.5 79.6 66.3 19.4 147 172 A N H 3> S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.928 105.8 46.7 -59.0 -41.7 82.5 68.1 21.1 148 173 A A H <> S+ 0 0 0 -3,-1.0 4,-2.8 -6,-0.3 -2,-0.2 0.902 111.5 51.7 -67.4 -41.0 83.4 65.0 23.0 149 174 A V H X S+ 0 0 62 -4,-2.0 4,-1.8 -7,-0.3 -2,-0.2 0.957 110.5 47.8 -62.1 -48.0 83.2 62.9 19.8 150 175 A S H X S+ 0 0 15 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.922 113.0 49.1 -59.4 -43.9 85.5 65.3 17.9 151 176 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.905 106.4 55.5 -64.0 -40.0 88.0 65.3 20.8 152 177 A X H X S+ 0 0 4 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.858 104.2 55.0 -60.3 -34.6 88.0 61.4 21.1 153 178 A E H X S+ 0 0 129 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.916 112.4 43.3 -66.4 -38.1 89.0 61.3 17.4 154 179 A L H X S+ 0 0 73 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.883 114.2 49.7 -71.3 -39.1 91.9 63.5 18.1 155 180 A L H X S+ 0 0 1 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.931 108.8 53.0 -66.1 -40.9 92.8 61.7 21.3 156 181 A K H X S+ 0 0 88 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.891 111.4 45.7 -63.7 -42.0 92.7 58.2 19.5 157 182 A L H X S+ 0 0 134 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.882 116.4 45.1 -64.7 -41.7 95.1 59.4 16.8 158 183 A S H X S+ 0 0 6 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.891 110.9 51.7 -75.8 -35.7 97.5 60.9 19.3 159 184 A A H <>S+ 0 0 2 -4,-3.2 5,-2.8 2,-0.2 3,-0.4 0.963 113.6 45.9 -59.2 -51.1 97.4 58.0 21.8 160 185 A A H ><5S+ 0 0 78 -4,-1.9 3,-1.5 -5,-0.2 -2,-0.2 0.912 108.6 55.4 -58.6 -47.6 98.3 55.6 18.9 161 186 A K H 3<5S+ 0 0 146 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.845 114.5 41.0 -52.6 -36.1 101.0 57.9 17.6 162 187 A H T 3<5S- 0 0 38 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.293 114.7-112.5 -99.4 10.6 102.7 57.9 21.1 163 188 A G T < 5 + 0 0 67 -3,-1.5 2,-0.5 -4,-0.2 -3,-0.2 0.770 68.5 143.3 65.9 28.8 102.2 54.2 21.8 164 189 A I < - 0 0 11 -5,-2.8 2,-0.2 -6,-0.2 -1,-0.2 -0.865 47.6-131.8-108.0 130.1 99.7 54.8 24.6 165 190 A K E -g 136 0B 134 -30,-2.5 -28,-3.0 -2,-0.5 2,-0.5 -0.559 18.0-141.2 -76.8 137.7 96.7 52.6 25.3 166 191 A L E -g 137 0B 30 -2,-0.2 2,-0.5 -30,-0.2 -28,-0.2 -0.921 9.3-162.9-100.2 128.9 93.3 54.4 25.7 167 192 A V E -g 138 0B 15 -30,-3.1 -28,-2.3 -2,-0.5 2,-0.3 -0.960 21.0-169.8-111.6 117.4 90.9 53.1 28.3 168 193 A E E +g 139 0B 72 -2,-0.5 2,-0.3 -30,-0.2 -28,-0.2 -0.819 20.3 169.9-116.5 144.7 87.5 54.5 27.6 169 194 A A E -g 140 0B 21 -30,-1.9 -28,-1.7 -2,-0.3 2,-0.3 -0.993 23.4-135.2-144.2 148.1 84.1 54.7 29.3 170 195 A T E -g 141 0B 70 -2,-0.3 2,-0.4 -30,-0.2 -28,-0.2 -0.721 10.1-166.2-103.1 154.8 81.0 56.7 28.4 171 196 A A - 0 0 0 -30,-2.0 27,-0.1 -2,-0.3 28,-0.1 -0.975 5.4-165.8-136.7 117.8 78.7 58.6 30.7 172 197 A L S S+ 0 0 118 -2,-0.4 2,-0.3 -30,-0.1 -30,-0.1 0.643 77.6 12.9 -80.4 -20.0 75.4 59.7 29.3 173 198 A K S > S- 0 0 116 -125,-0.0 3,-2.1 1,-0.0 4,-0.3 -0.966 87.0 -99.7-152.6 163.7 74.7 62.2 32.0 174 199 A S G > S+ 0 0 53 -2,-0.3 3,-1.4 1,-0.3 4,-0.4 0.773 114.8 64.3 -64.7 -25.3 76.7 63.8 34.8 175 200 A A G 3 S+ 0 0 84 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.626 100.8 52.9 -72.1 -14.2 75.5 61.5 37.5 176 201 A D G <> S+ 0 0 47 -3,-2.1 4,-2.2 1,-0.1 -1,-0.3 0.434 85.4 88.5 -92.1 -4.4 77.1 58.5 35.7 177 202 A V H <> S+ 0 0 0 -3,-1.4 4,-2.7 -4,-0.3 5,-0.2 0.913 85.2 50.4 -66.4 -39.2 80.6 60.2 35.5 178 203 A Q H > S+ 0 0 88 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.952 112.4 46.3 -65.1 -46.7 81.8 59.0 38.9 179 204 A S H > S+ 0 0 75 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.893 112.3 51.3 -58.3 -46.4 80.9 55.4 38.2 180 205 A A H X S+ 0 0 10 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.929 110.8 48.3 -56.9 -47.2 82.5 55.6 34.7 181 206 A T H >X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 3,-1.3 0.942 111.2 50.8 -57.6 -47.7 85.7 57.0 36.3 182 207 A Q H 3X S+ 0 0 128 -4,-2.8 4,-0.5 1,-0.3 -1,-0.2 0.895 103.4 59.4 -56.6 -43.2 85.6 54.2 38.9 183 208 A A H 3< S+ 0 0 63 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.736 121.4 23.6 -58.4 -23.8 85.2 51.6 36.2 184 209 A I H X< S+ 0 0 8 -3,-1.3 3,-0.7 -4,-0.8 4,-0.4 0.568 92.1 93.1-120.2 -10.4 88.5 52.7 34.5 185 210 A A H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.3 -3,-0.1 0.847 88.5 50.1 -65.1 -33.2 90.7 54.4 37.1 186 211 A E T 3< S+ 0 0 145 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.736 110.4 50.2 -79.3 -21.4 92.7 51.2 38.1 187 212 A K T < S+ 0 0 142 -3,-0.7 2,-0.4 -4,-0.1 -1,-0.3 0.394 105.2 76.0 -88.9 3.6 93.4 50.3 34.4 188 213 A S < - 0 0 7 -3,-1.0 -51,-0.2 -4,-0.4 3,-0.1 -0.900 61.6-157.4-119.3 142.5 94.7 53.9 33.8 189 214 A D S S+ 0 0 72 -53,-1.5 2,-0.3 -2,-0.4 -52,-0.2 0.734 89.8 1.4 -81.7 -21.7 97.9 55.6 34.7 190 215 A V E -h 137 0B 1 -54,-0.8 -52,-3.0 25,-0.2 2,-0.5 -0.972 69.6-128.3-159.3 147.8 96.1 58.9 34.4 191 216 A I E -hi 138 217B 0 25,-2.4 27,-3.2 -2,-0.3 2,-0.8 -0.911 17.3-145.8-101.6 129.9 92.7 60.2 33.6 192 217 A Y E -hi 139 218B 2 -54,-3.1 2,-1.0 -2,-0.5 -52,-0.5 -0.861 9.4-156.5 -92.7 110.1 92.4 62.8 30.9 193 218 A A E - i 0 219B 0 25,-3.0 27,-2.1 -2,-0.8 28,-0.2 -0.776 24.4-162.0 -88.9 103.5 89.5 65.0 31.9 194 219 A L - 0 0 0 -2,-1.0 2,-2.0 -54,-0.4 6,-0.2 -0.227 32.5 -81.2 -88.3 175.5 88.5 66.4 28.5 195 220 A I S S+ 0 0 0 -48,-0.1 2,-0.4 25,-0.1 -44,-0.2 -0.566 79.9 130.5 -73.2 80.5 86.5 69.4 27.3 196 221 A D > - 0 0 0 -2,-2.0 4,-2.9 1,-0.1 5,-0.2 -0.996 56.9-141.5-138.9 132.8 83.1 67.8 27.8 197 222 A N H > S+ 0 0 4 -2,-0.4 4,-2.0 2,-0.2 5,-0.1 0.804 102.2 53.3 -67.0 -33.2 80.2 69.5 29.6 198 223 A T H > S+ 0 0 13 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.928 113.7 42.9 -68.1 -47.0 79.1 66.3 31.3 199 224 A V H >4 S+ 0 0 1 1,-0.2 3,-1.7 2,-0.2 7,-0.2 0.963 112.9 53.3 -59.5 -50.7 82.6 65.7 32.7 200 225 A A H >< S+ 0 0 6 -4,-2.9 3,-1.0 1,-0.3 4,-0.2 0.883 108.3 50.0 -54.5 -39.6 82.9 69.4 33.6 201 226 A S H 3< S+ 0 0 45 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.617 120.5 35.3 -80.3 -8.0 79.7 69.3 35.6 202 227 A A T S+ 0 0 13 -3,-1.0 4,-2.5 1,-0.2 5,-0.2 0.868 71.7 58.0 -62.0 -34.9 84.5 66.8 37.9 204 229 A E H > S+ 0 0 120 1,-0.2 4,-2.0 -4,-0.2 -1,-0.2 0.914 108.3 46.2 -59.8 -43.3 84.4 66.6 41.7 205 230 A G H > S+ 0 0 15 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.867 110.4 53.4 -67.5 -37.2 82.9 63.1 41.4 206 231 A X H X S+ 0 0 0 -4,-2.0 4,-2.5 -7,-0.2 -2,-0.2 0.930 111.2 46.5 -60.3 -42.0 85.6 62.1 38.8 207 232 A I H X S+ 0 0 10 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.867 107.7 55.8 -74.9 -31.1 88.3 63.3 41.2 208 233 A V H X S+ 0 0 76 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.957 112.4 43.1 -63.6 -48.9 86.8 61.5 44.1 209 234 A A H X S+ 0 0 4 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.885 115.7 48.2 -61.5 -44.2 86.9 58.2 42.1 210 235 A A H <>S+ 0 0 0 -4,-2.5 5,-2.9 2,-0.2 4,-0.4 0.938 111.1 50.2 -64.1 -47.8 90.4 58.9 40.7 211 236 A N H ><5S+ 0 0 63 -4,-3.1 3,-1.0 3,-0.2 -1,-0.2 0.877 107.8 54.3 -55.8 -38.2 91.8 59.8 44.1 212 237 A Q H 3<5S+ 0 0 134 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.870 112.8 42.1 -66.9 -36.8 90.3 56.6 45.5 213 238 A A T 3<5S- 0 0 12 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.398 112.9-123.1 -83.4 1.9 92.2 54.6 42.8 214 239 A K T < 5 + 0 0 165 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.898 64.6 143.6 54.2 42.0 95.3 56.9 43.4 215 240 A T < - 0 0 7 -5,-2.9 -1,-0.2 -8,-0.1 -25,-0.2 -0.942 48.1-127.3-111.6 130.6 95.2 57.8 39.8 216 241 A P - 0 0 7 0, 0.0 -25,-2.4 0, 0.0 2,-0.4 -0.455 15.3-142.0 -73.4 153.8 96.1 61.4 38.7 217 242 A V E -i 191 0B 3 11,-0.3 13,-2.0 -27,-0.2 14,-0.8 -0.977 5.7-156.1-115.0 128.7 93.8 63.4 36.5 218 243 A F E -ij 192 231B 3 -27,-3.2 -25,-3.0 -2,-0.4 2,-0.4 -0.932 19.9-142.4-101.3 130.7 95.2 65.7 33.8 219 244 A G E -ij 193 232B 0 12,-3.0 14,-1.7 -2,-0.5 -25,-0.2 -0.756 23.1-161.3-102.2 138.7 92.8 68.5 32.9 220 245 A A S S+ 0 0 2 -27,-2.1 15,-0.4 -2,-0.4 2,-0.4 0.511 87.7 50.2 -86.0 -4.8 92.0 70.1 29.6 221 246 A A S >> S- 0 0 0 -28,-0.2 3,-1.3 13,-0.2 4,-0.7 -0.996 79.4-132.0-135.9 143.1 90.6 73.1 31.5 222 247 A T H >> S+ 0 0 33 13,-0.4 4,-2.0 -2,-0.4 3,-0.7 0.826 105.8 67.4 -59.7 -37.8 92.0 75.2 34.4 223 248 A S H 3> S+ 0 0 15 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.823 96.8 57.1 -55.4 -27.8 88.7 74.8 36.3 224 249 A Y H X4>S+ 0 0 1 -3,-1.3 5,-1.9 2,-0.2 3,-0.6 0.893 102.9 50.6 -73.9 -33.5 89.7 71.1 36.6 225 250 A V H X<5S+ 0 0 0 -3,-0.7 3,-2.0 -4,-0.7 -2,-0.2 0.901 102.7 62.3 -69.4 -37.5 93.0 71.8 38.3 226 251 A E H 3<5S+ 0 0 104 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.803 106.8 45.3 -54.9 -29.4 91.1 74.0 40.8 227 252 A R T <<5S- 0 0 120 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.292 137.3 -72.4-102.6 6.5 89.2 70.9 41.8 228 253 A G T < 5S+ 0 0 14 -3,-2.0 -11,-0.3 1,-0.3 -3,-0.2 0.434 79.3 139.8 119.6 0.8 92.2 68.5 42.1 229 254 A A < - 0 0 0 -5,-1.9 -1,-0.3 1,-0.1 -11,-0.2 -0.460 54.8-129.8 -57.2 145.5 93.6 67.6 38.7 230 255 A I S S- 0 0 3 -13,-2.0 43,-3.8 1,-0.2 2,-0.3 0.828 80.0 -4.2 -71.7 -27.5 97.4 67.6 39.0 231 256 A A E -jK 218 272B 0 -14,-0.8 -12,-3.0 41,-0.3 2,-0.3 -0.978 62.9-169.5-157.5 159.3 98.0 69.7 36.0 232 257 A S E -jK 219 271B 0 39,-2.4 39,-2.3 -2,-0.3 -12,-0.2 -0.991 17.7-160.0-152.5 157.7 96.0 71.4 33.2 233 258 A L E + K 0 270B 12 -14,-1.7 37,-0.2 -2,-0.3 2,-0.2 -0.607 42.4 147.9-135.0 75.5 96.6 73.2 29.9 234 259 A G E - K 0 269B 1 35,-1.0 35,-2.6 -2,-0.2 -13,-0.2 -0.564 44.9-103.0-111.4 169.5 93.5 75.1 29.2 235 260 A F - 0 0 14 -15,-0.4 2,-0.9 33,-0.2 -13,-0.4 -0.321 37.3-105.2 -80.7 169.8 92.3 78.3 27.6 236 261 A D > - 0 0 70 31,-0.4 4,-1.5 1,-0.2 5,-0.1 -0.864 33.8-170.8 -96.1 99.8 91.2 81.5 29.4 237 262 A Y H > S+ 0 0 12 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.795 80.7 61.9 -71.4 -25.6 87.4 81.3 29.0 238 263 A Y H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.963 106.9 45.8 -62.5 -44.5 86.9 84.8 30.4 239 264 A Q H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.823 108.1 55.6 -68.8 -33.9 89.0 86.2 27.5 240 265 A I H X S+ 0 0 5 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.902 108.1 49.7 -61.1 -41.6 87.1 84.0 25.0 241 266 A G H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.951 108.7 52.5 -60.8 -45.8 83.9 85.6 26.3 242 267 A V H >X S+ 0 0 40 -4,-2.3 4,-0.6 1,-0.2 3,-0.6 0.931 110.7 47.1 -56.6 -42.6 85.5 89.1 25.9 243 268 A Q H >X S+ 0 0 71 -4,-2.6 4,-0.9 1,-0.2 3,-0.8 0.821 102.2 64.6 -69.9 -30.5 86.4 88.2 22.3 244 269 A T H 3X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 3,-0.5 0.862 93.8 62.5 -56.1 -32.4 82.9 86.9 21.7 245 270 A A H S+ 0 0 26 -4,-2.0 5,-2.0 1,-0.2 3,-0.2 0.930 111.9 46.9 -64.0 -38.5 80.0 93.8 14.9 251 276 A I H ><5S+ 0 0 13 -4,-2.7 3,-2.2 1,-0.2 -1,-0.2 0.927 107.9 54.6 -68.6 -42.4 76.7 92.0 14.1 252 277 A L H 3<5S+ 0 0 41 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.825 104.6 57.3 -60.1 -29.4 74.6 94.6 16.0 253 278 A E T 3<5S- 0 0 135 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.244 133.6 -85.5 -88.2 12.9 76.3 97.2 13.9 254 279 A G T < 5S+ 0 0 67 -3,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.565 78.8 142.1 99.8 9.4 75.1 95.6 10.7 255 280 A K < - 0 0 103 -5,-2.0 -1,-0.3 -6,-0.2 3,-0.0 -0.627 53.4-120.4 -76.7 144.3 77.6 92.9 9.8 256 281 A E > - 0 0 137 -2,-0.2 3,-1.7 1,-0.1 4,-0.2 -0.701 16.2-139.2 -75.4 129.0 76.3 89.7 8.4 257 282 A P G > S+ 0 0 5 0, 0.0 3,-2.1 0, 0.0 -147,-0.2 0.897 101.3 62.0 -58.5 -35.8 77.4 86.8 10.8 258 283 A G G 3 S+ 0 0 6 -149,-0.9 -150,-2.3 1,-0.3 -148,-0.1 0.645 97.2 58.4 -66.5 -12.0 78.3 84.6 7.8 259 284 A S G < S+ 0 0 31 -3,-1.7 2,-0.6 -152,-0.2 -1,-0.3 0.376 89.1 89.1 -97.0 0.4 80.9 87.2 6.6 260 285 A L S < S- 0 0 31 -3,-2.1 -147,-0.3 -4,-0.2 -152,-0.1 -0.897 79.3-128.6-103.7 120.9 82.8 86.8 9.9 261 286 A D - 0 0 61 -2,-0.6 2,-0.3 -155,-0.1 -156,-0.2 -0.331 26.3-109.2 -61.0 144.0 85.4 84.1 10.1 262 287 A V - 0 0 12 -158,-2.4 2,-0.4 -159,-0.1 -148,-0.2 -0.569 34.2-139.7 -73.4 131.4 85.3 81.7 13.0 263 288 A Q E -f 114 0A 94 -150,-2.0 -148,-3.1 -2,-0.3 2,-0.5 -0.747 5.0-146.6 -97.3 139.5 88.1 82.3 15.4 264 289 A V E -f 115 0A 35 -2,-0.4 -148,-0.2 -150,-0.2 -150,-0.0 -0.903 25.0-117.4-103.3 126.9 90.0 79.4 17.0 265 290 A A - 0 0 7 -150,-3.2 2,-0.3 -2,-0.5 3,-0.1 -0.258 34.8-170.8 -58.7 149.0 91.3 80.1 20.6 266 291 A K + 0 0 170 1,-0.2 -1,-0.0 -150,-0.0 0, 0.0 -0.918 43.7 45.6-136.7 163.1 95.1 80.1 21.1 267 292 A G - 0 0 64 -2,-0.3 -31,-0.4 1,-0.1 2,-0.3 0.924 58.1-158.8 70.0 98.5 97.6 80.2 24.1 268 293 A S - 0 0 30 -33,-0.1 2,-0.5 -3,-0.1 -33,-0.2 -0.764 16.3-122.4-104.2 152.4 96.7 77.9 26.9 269 294 A D E -K 234 0B 64 -35,-2.6 -35,-1.0 -2,-0.3 2,-0.6 -0.862 15.6-136.4-100.0 129.2 98.0 78.4 30.5 270 295 A L E +K 233 0B 12 -2,-0.5 23,-1.1 21,-0.3 24,-0.9 -0.735 30.3 178.4 -78.2 115.8 100.0 75.6 32.1 271 296 A V E -Kl 232 294B 7 -39,-2.3 -39,-2.4 -2,-0.6 2,-0.4 -0.957 11.2-160.1-124.0 140.9 98.8 75.2 35.7 272 297 A I E -K 231 0B 0 22,-0.9 2,-0.9 -2,-0.4 -41,-0.3 -0.974 13.6-148.7-123.4 134.2 100.0 72.7 38.3 273 298 A N > + 0 0 17 -43,-3.8 4,-2.1 -2,-0.4 5,-0.2 -0.800 20.1 176.8-101.9 93.1 98.3 71.5 41.4 274 299 A K H > S+ 0 0 111 -2,-0.9 4,-2.9 21,-0.5 5,-0.2 0.909 78.2 52.1 -64.2 -46.4 101.3 70.7 43.7 275 300 A T H > S+ 0 0 82 21,-1.2 4,-2.7 1,-0.2 5,-0.3 0.983 111.7 44.2 -53.6 -62.9 99.1 69.8 46.7 276 301 A A H > S+ 0 0 10 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.836 114.3 52.5 -51.0 -37.1 97.0 67.3 44.8 277 302 A A H ><>S+ 0 0 1 -4,-2.1 5,-3.0 1,-0.2 3,-0.8 0.939 109.3 47.2 -68.5 -48.1 100.2 65.9 43.1 278 303 A E H ><5S+ 0 0 152 -4,-2.9 3,-2.1 1,-0.3 -2,-0.2 0.896 106.1 58.3 -62.2 -40.7 102.0 65.3 46.4 279 304 A Q H 3<5S+ 0 0 143 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.764 108.0 48.6 -59.3 -22.1 98.9 63.7 47.9 280 305 A L T <<5S- 0 0 31 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.378 121.0-111.3 -95.1 4.7 99.1 61.2 45.1 281 306 A G T < 5 + 0 0 69 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.780 69.9 147.2 70.6 27.9 102.8 60.6 45.7 282 307 A I < - 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