==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 28-OCT-10 2XVY . COMPND 2 MOLECULE: CHELATASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR C.V.ROMAO,S.A.L.LOBO,M.A.CARRONDO,L.M.SARAIVA,P.M.MATIAS . 262 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12135.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 0 0.0 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 . 14 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 1 0 0 1 0 1 2 1 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 Q 0 0 163 0, 0.0 2,-0.4 0, 0.0 71,-0.1 0.000 360.0 360.0 360.0 120.8 20.0 61.8 14.0 2 9 A K - 0 0 82 69,-0.1 71,-2.7 2,-0.0 72,-1.9 -0.952 360.0-151.5-145.3 115.1 18.4 59.4 16.3 3 10 A T E +a 74 0A 37 -2,-0.4 2,-0.3 70,-0.2 72,-0.2 -0.662 18.4 173.2 -90.0 140.6 17.4 55.8 15.6 4 11 A G E -a 75 0A 0 70,-2.2 72,-2.4 -2,-0.3 2,-0.4 -0.947 23.2-137.7-138.4 162.1 14.6 53.9 17.4 5 12 A I E -ab 76 37A 0 31,-2.2 33,-2.5 -2,-0.3 2,-0.6 -0.977 10.1-161.9-118.7 134.0 12.8 50.6 17.1 6 13 A L E -ab 77 38A 0 70,-2.9 72,-2.5 -2,-0.4 2,-0.4 -0.951 7.3-158.7-118.0 112.5 9.0 50.3 17.4 7 14 A L E -ab 78 39A 0 31,-3.0 33,-2.3 -2,-0.6 2,-0.5 -0.739 12.1-169.8 -89.5 129.8 7.9 46.7 18.1 8 15 A V E +ab 79 40A 0 70,-2.5 72,-3.1 -2,-0.4 2,-0.3 -0.962 9.9 170.6-129.7 117.8 4.2 46.2 17.2 9 16 A A E - b 0 41A 2 31,-1.7 33,-2.3 -2,-0.5 34,-0.3 -0.732 48.2-114.1-115.0 169.5 2.2 43.2 18.1 10 17 A F - 0 0 87 70,-0.3 33,-1.9 -2,-0.3 36,-0.2 0.969 67.3-147.0 -59.6 -46.7 -1.5 42.5 17.8 11 18 A G - 0 0 8 30,-0.1 2,-0.3 31,-0.1 194,-0.1 -0.069 17.7-132.4 101.4 164.8 -1.2 42.4 21.5 12 19 A T - 0 0 10 34,-0.1 -3,-0.0 195,-0.1 194,-0.0 -0.987 14.1-162.3-148.1 146.6 -2.8 40.6 24.4 13 20 A S + 0 0 22 -2,-0.3 2,-0.6 4,-0.0 3,-0.1 0.346 61.7 116.1-105.0 -0.3 -4.4 41.6 27.8 14 21 A V >> - 0 0 30 1,-0.2 4,-1.6 2,-0.1 3,-1.3 -0.606 61.7-147.9 -68.8 114.6 -4.1 37.9 29.0 15 22 A E T 34 S+ 0 0 131 -2,-0.6 3,-0.4 1,-0.3 -1,-0.2 0.909 95.5 50.3 -48.4 -51.7 -1.6 38.0 31.9 16 23 A E T 34 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.646 112.1 48.6 -67.2 -17.2 -0.2 34.5 31.3 17 24 A A T X4 S+ 0 0 3 -3,-1.3 3,-1.5 1,-0.1 4,-0.5 0.756 90.1 77.9 -93.7 -30.0 0.4 35.3 27.5 18 25 A R T >X S+ 0 0 66 -4,-1.6 4,-1.9 -3,-0.4 3,-1.2 0.769 78.1 72.8 -56.7 -34.4 2.2 38.7 27.8 19 26 A P H 3> S+ 0 0 71 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.825 87.3 63.7 -50.9 -36.6 5.6 37.1 28.8 20 27 A A H <> S+ 0 0 2 -3,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.877 105.8 45.5 -50.9 -41.3 6.0 35.9 25.2 21 28 A L H <> S+ 0 0 12 -3,-1.2 4,-2.2 -4,-0.5 -1,-0.2 0.924 110.0 52.9 -73.5 -42.6 6.1 39.6 24.1 22 29 A D H X S+ 0 0 98 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.893 106.5 54.9 -53.3 -42.6 8.5 40.5 27.0 23 30 A K H X S+ 0 0 86 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.948 106.6 50.0 -57.1 -46.6 10.8 37.7 25.7 24 31 A M H X S+ 0 0 2 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.908 108.0 53.8 -58.9 -42.2 10.8 39.3 22.2 25 32 A G H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.921 108.5 50.0 -59.7 -44.5 11.7 42.7 23.8 26 33 A D H X S+ 0 0 110 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.928 110.2 49.5 -55.6 -48.4 14.7 41.0 25.5 27 34 A R H X S+ 0 0 33 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.891 112.3 47.8 -58.0 -43.9 15.8 39.4 22.2 28 35 A V H X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.939 112.2 48.3 -66.4 -46.0 15.6 42.8 20.4 29 36 A R H < S+ 0 0 120 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.900 111.9 51.3 -55.4 -45.5 17.5 44.6 23.2 30 37 A A H < S+ 0 0 82 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.881 113.8 43.0 -63.2 -38.3 20.2 41.9 23.2 31 38 A A H < S+ 0 0 53 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.775 128.4 28.4 -76.4 -27.8 20.6 42.2 19.4 32 39 A H >< + 0 0 26 -4,-2.0 3,-2.0 -5,-0.1 -1,-0.2 -0.549 69.9 168.9-135.7 65.9 20.5 46.0 19.3 33 40 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.691 75.3 46.8 -63.6 -19.0 21.9 47.1 22.7 34 41 A D T 3 S+ 0 0 153 2,-0.1 -5,-0.1 -5,-0.0 -2,-0.0 0.314 92.9 87.7-105.4 8.2 22.3 50.8 21.8 35 42 A I S < S- 0 0 43 -3,-2.0 -31,-0.2 -6,-0.2 -3,-0.1 -0.937 78.5-121.2-114.7 124.2 18.9 51.5 20.1 36 43 A P - 0 0 46 0, 0.0 -31,-2.2 0, 0.0 2,-0.4 -0.318 26.4-148.8 -60.3 143.9 15.9 52.5 22.1 37 44 A V E -b 5 0A 5 -33,-0.2 2,-0.3 -31,-0.1 -31,-0.2 -0.945 16.3-178.9-120.9 133.9 12.9 50.1 21.8 38 45 A R E -b 6 0A 77 -33,-2.5 -31,-3.0 -2,-0.4 2,-0.3 -0.888 15.0-136.2-128.4 162.0 9.3 51.2 22.1 39 46 A W E +b 7 0A 46 -2,-0.3 2,-0.3 -33,-0.2 -31,-0.2 -0.905 21.1 168.9-122.4 149.0 6.0 49.2 21.9 40 47 A A E -b 8 0A 0 -33,-2.3 -31,-1.7 -2,-0.3 2,-0.4 -0.962 19.5-141.0-145.9 171.2 2.6 49.6 20.2 41 48 A Y E -b 9 0A 38 17,-2.0 -31,-0.2 -2,-0.3 -30,-0.1 -0.988 4.7-156.6-137.0 136.6 -0.4 47.4 19.6 42 49 A T S S+ 0 0 20 -33,-2.3 2,-0.7 -2,-0.4 -32,-0.2 0.745 70.3 87.2 -87.9 -22.0 -2.6 47.1 16.6 43 50 A A >> - 0 0 10 -33,-1.9 4,-2.1 -34,-0.3 3,-0.6 -0.679 62.1-156.2 -85.1 115.5 -5.8 45.7 18.1 44 51 A K H 3> S+ 0 0 157 -2,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.877 93.5 53.1 -55.8 -37.5 -8.1 48.6 19.4 45 52 A M H 3> S+ 0 0 116 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.851 106.5 50.0 -72.1 -30.2 -9.8 46.2 21.9 46 53 A I H <> S+ 0 0 26 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.888 109.8 51.4 -72.2 -37.7 -6.6 45.0 23.4 47 54 A R H X S+ 0 0 26 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.934 109.8 51.0 -63.3 -41.4 -5.4 48.6 23.9 48 55 A A H X S+ 0 0 34 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.946 111.8 46.8 -58.2 -47.1 -8.8 49.4 25.6 49 56 A K H X S+ 0 0 97 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.877 112.7 48.4 -65.7 -37.6 -8.3 46.4 27.9 50 57 A L H <>S+ 0 0 4 -4,-2.4 5,-2.2 2,-0.2 3,-0.5 0.926 110.5 50.6 -70.5 -42.2 -4.8 47.3 28.8 51 58 A R H ><5S+ 0 0 124 -4,-2.9 3,-2.2 1,-0.3 -2,-0.2 0.915 105.9 57.8 -59.9 -38.2 -5.6 50.9 29.5 52 59 A A H 3<5S+ 0 0 89 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.862 103.3 52.8 -59.0 -35.3 -8.4 49.7 31.7 53 60 A E T 3<5S- 0 0 101 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.398 125.1-104.0 -80.3 5.4 -5.8 47.8 33.7 54 61 A G T < 5S+ 0 0 73 -3,-2.2 2,-0.4 1,-0.3 -3,-0.2 0.686 80.2 131.8 84.6 18.8 -3.8 51.1 34.1 55 62 A I < - 0 0 49 -5,-2.2 -1,-0.3 -6,-0.1 2,-0.2 -0.859 61.4-119.8-109.8 133.2 -1.2 50.0 31.5 56 63 A A + 0 0 87 -2,-0.4 -5,-0.0 -3,-0.1 -9,-0.0 -0.539 36.8 170.1 -68.4 134.7 0.0 52.3 28.7 57 64 A A - 0 0 4 -2,-0.2 -6,-0.1 -10,-0.1 -17,-0.1 -0.607 16.0-163.0-149.6 75.0 -0.8 50.6 25.4 58 65 A P - 0 0 36 0, 0.0 -17,-2.0 0, 0.0 -2,-0.0 -0.322 17.0-124.6 -67.3 143.7 -0.2 53.1 22.5 59 66 A S > - 0 0 18 -19,-0.2 4,-3.1 1,-0.1 5,-0.2 -0.371 38.0-101.3 -64.2 163.8 -1.6 52.6 19.0 60 67 A P H > S+ 0 0 12 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.927 127.6 50.6 -57.8 -40.8 1.0 52.7 16.3 61 68 A A H > S+ 0 0 41 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.926 111.8 46.5 -63.0 -43.9 -0.1 56.4 15.6 62 69 A E H > S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.929 114.4 48.3 -61.8 -46.5 0.2 57.3 19.4 63 70 A A H X S+ 0 0 10 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.925 113.7 44.6 -61.3 -47.4 3.6 55.6 19.6 64 71 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 -2,-0.2 0.910 111.9 52.8 -67.1 -40.5 5.1 57.3 16.5 65 72 A A H X S+ 0 0 47 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.910 112.5 46.7 -58.3 -42.7 3.7 60.7 17.5 66 73 A G H X S+ 0 0 33 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.888 110.3 50.9 -66.6 -40.6 5.4 60.3 20.9 67 74 A M H <>S+ 0 0 2 -4,-2.5 5,-2.3 2,-0.2 4,-0.3 0.897 107.8 53.6 -64.9 -35.9 8.7 59.1 19.3 68 75 A A H ><5S+ 0 0 24 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.940 107.3 52.3 -61.7 -39.2 8.6 62.2 17.0 69 76 A E H 3<5S+ 0 0 175 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.822 104.4 55.6 -68.8 -29.8 8.2 64.3 20.1 70 77 A E T 3<5S- 0 0 84 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.475 122.2-108.9 -75.9 -4.9 11.3 62.6 21.7 71 78 A G T < 5 + 0 0 40 -3,-1.8 -3,-0.2 -4,-0.3 -69,-0.1 0.617 61.1 158.9 85.2 17.1 13.2 63.7 18.6 72 79 A F < - 0 0 3 -5,-2.3 -1,-0.3 1,-0.1 -69,-0.2 -0.460 15.7-177.7 -63.7 147.8 13.7 60.3 17.0 73 80 A T + 0 0 28 -71,-2.7 34,-2.0 1,-0.3 33,-1.9 0.614 65.8 34.8-118.8 -30.4 14.4 60.7 13.3 74 81 A H E -ac 3 107A 34 -72,-1.9 -70,-2.2 32,-0.2 2,-0.4 -0.980 68.0-178.4-131.7 120.3 14.7 57.2 11.9 75 82 A V E -ac 4 108A 0 32,-2.7 34,-2.0 -2,-0.4 2,-0.6 -0.979 18.1-154.0-127.4 129.5 12.4 54.5 13.2 76 83 A A E -ac 5 109A 0 -72,-2.4 -70,-2.9 -2,-0.4 2,-0.6 -0.894 15.6-158.1 -96.3 116.9 12.3 50.8 12.3 77 84 A V E -ac 6 110A 1 32,-2.9 34,-3.3 -2,-0.6 2,-0.7 -0.872 6.3-157.5 -94.2 119.7 8.8 49.4 13.0 78 85 A Q E -ac 7 111A 2 -72,-2.5 -70,-2.5 -2,-0.6 2,-0.4 -0.887 8.2-141.9-106.8 118.6 8.8 45.6 13.4 79 86 A S E -a 8 0A 0 32,-1.3 -70,-0.2 -2,-0.7 174,-0.1 -0.574 11.3-168.9 -71.2 122.9 5.6 43.8 12.8 80 87 A L + 0 0 4 -72,-3.1 124,-0.3 -2,-0.4 -70,-0.3 0.014 53.4 119.2-100.1 26.1 5.2 40.8 15.3 81 88 A H - 0 0 15 -73,-0.2 33,-2.5 -72,-0.1 34,-0.1 -0.431 66.1-134.8 -82.5 159.1 2.2 39.7 13.1 82 89 A T S S+ 0 0 15 31,-0.2 33,-3.0 32,-0.2 -1,-0.1 0.835 82.0 24.0 -86.3 -35.1 2.2 36.3 11.4 83 90 A I S S- 0 0 15 31,-0.2 2,-1.7 30,-0.1 5,-0.3 -0.876 81.5-108.3-130.6 160.2 1.0 37.3 7.9 84 91 A P S S+ 0 0 31 0, 0.0 69,-0.2 0, 0.0 70,-0.1 -0.425 75.0 133.0 -83.9 61.3 0.9 40.5 5.8 85 92 A G S > S- 0 0 4 -2,-1.7 4,-2.7 68,-0.1 5,-0.2 0.140 75.0 -55.5 -95.9-151.5 -2.8 40.8 6.3 86 93 A E H > S+ 0 0 119 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.900 133.4 48.6 -62.3 -44.4 -5.1 43.7 7.3 87 94 A E H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.928 114.3 45.9 -62.5 -49.2 -3.2 44.6 10.5 88 95 A F H > S+ 0 0 11 -5,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.913 113.3 48.9 -57.5 -45.6 0.2 44.5 8.8 89 96 A H H X S+ 0 0 80 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.890 110.8 50.8 -65.5 -36.8 -1.1 46.6 5.9 90 97 A G H X S+ 0 0 27 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.902 109.0 53.0 -64.7 -41.8 -2.7 49.2 8.4 91 98 A L H X S+ 0 0 4 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.927 107.6 50.0 -57.2 -45.8 0.6 49.3 10.1 92 99 A L H X S+ 0 0 46 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.889 110.8 49.7 -60.2 -41.4 2.4 50.1 6.8 93 100 A E H X S+ 0 0 152 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.908 113.2 46.3 -66.2 -39.8 -0.0 52.9 6.0 94 101 A T H X S+ 0 0 40 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.946 112.2 50.0 -66.7 -48.1 0.4 54.4 9.4 95 102 A A H >X S+ 0 0 0 -4,-3.0 4,-1.2 1,-0.2 3,-0.6 0.931 112.2 47.1 -55.8 -46.3 4.2 54.2 9.4 96 103 A H H 3< S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.821 104.1 61.8 -71.9 -24.7 4.3 55.8 6.0 97 104 A A H 3< S+ 0 0 62 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.844 107.0 46.3 -62.6 -34.3 1.9 58.6 7.1 98 105 A F H X< S+ 0 0 39 -4,-1.4 3,-1.7 -3,-0.6 7,-0.3 0.778 89.4 100.5 -82.7 -25.0 4.4 59.7 9.7 99 106 A Q T 3< S+ 0 0 70 -4,-1.2 7,-0.2 1,-0.3 8,-0.1 -0.398 95.2 5.3 -71.1 124.3 7.4 59.6 7.5 100 107 A G T 3 S+ 0 0 55 5,-2.6 -1,-0.3 1,-0.3 6,-0.1 0.432 84.1 154.7 88.8 -3.4 8.4 63.0 6.3 101 108 A L X - 0 0 88 -3,-1.7 3,-3.0 4,-0.3 -1,-0.3 -0.319 61.8 -82.5 -55.1 138.5 5.8 65.0 8.3 102 109 A P T 3 S- 0 0 121 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.175 112.0 -5.9 -50.1 126.2 7.0 68.5 8.9 103 110 A K T 3 S+ 0 0 217 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.593 122.1 93.3 60.8 16.2 9.5 68.6 11.9 104 111 A G S < S- 0 0 23 -3,-3.0 -1,-0.2 1,-0.3 -5,-0.1 -0.048 82.8 -18.1-112.4-144.5 8.7 64.9 12.6 105 112 A L - 0 0 2 -7,-0.3 -5,-2.6 1,-0.1 -4,-0.3 -0.366 44.4-158.6 -66.0 137.8 10.2 61.6 11.6 106 113 A T S S+ 0 0 86 -33,-1.9 2,-0.4 1,-0.3 -32,-0.2 0.876 77.4 9.4 -79.1 -42.3 12.6 61.5 8.6 107 114 A R E -c 74 0A 63 -34,-2.0 -32,-2.7 -8,-0.1 2,-0.5 -0.997 56.2-175.6-148.7 129.7 12.3 57.8 7.8 108 115 A V E -c 75 0A 0 -2,-0.4 2,-0.2 -34,-0.2 -32,-0.2 -0.966 14.0-172.1-129.0 110.1 10.0 55.1 9.1 109 116 A S E -c 76 0A 1 -34,-2.0 -32,-2.9 -2,-0.5 2,-0.4 -0.651 12.0-142.9 -95.6 160.3 10.8 51.5 7.8 110 117 A V E -c 77 0A 10 -2,-0.2 2,-0.2 -34,-0.2 -32,-0.2 -0.973 7.6-139.7-129.6 122.6 8.6 48.5 8.4 111 118 A G E -c 78 0A 0 -34,-3.3 -32,-1.3 -2,-0.4 143,-0.1 -0.549 31.9-105.2 -76.4 139.6 9.8 44.9 9.0 112 119 A L - 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0 0 13 -5,-2.3 2,-0.9 -6,-0.1 -1,-0.2 -0.829 57.2-129.5 -98.2 136.2 -8.8 11.8 20.0 232 239 A E E -f 196 0B 87 -37,-2.8 -35,-2.5 -2,-0.4 2,-0.4 -0.768 31.4-156.7 -80.3 106.7 -6.5 12.6 22.9 233 240 A A E -f 197 0B 23 -2,-0.9 -35,-0.2 -37,-0.2 -10,-0.0 -0.738 10.4-165.8 -89.2 135.8 -5.9 16.3 22.2 234 241 A K E -f 198 0B 75 -37,-2.9 -35,-1.9 -2,-0.4 2,-0.1 -0.787 8.8-166.0-126.0 89.1 -2.7 17.8 23.6 235 242 A P E -f 199 0B 57 0, 0.0 2,-0.5 0, 0.0 -35,-0.2 -0.472 6.6-155.1 -77.9 144.1 -2.9 21.6 23.4 236 243 A V - 0 0 20 -37,-2.8 2,-1.7 -2,-0.1 -2,-0.0 -0.968 3.7-154.9-121.2 112.8 0.3 23.6 24.0 237 244 A L + 0 0 78 -2,-0.5 2,-0.4 -37,-0.1 -31,-0.2 -0.396 53.7 115.7 -91.4 61.0 -0.3 27.1 25.3 238 245 A H - 0 0 101 -2,-1.7 -2,-0.1 -33,-0.1 -33,-0.1 -0.992 57.6-137.1-127.1 125.6 2.9 28.7 23.9 239 246 A G > - 0 0 4 -2,-0.4 3,-1.7 -222,-0.1 4,-0.4 -0.346 29.4-108.8 -73.1 164.3 2.9 31.4 21.3 240 247 A T G > S+ 0 0 8 -37,-2.7 3,-1.4 1,-0.3 7,-0.3 0.771 114.7 71.0 -68.4 -21.2 5.4 31.3 18.5 241 248 A A G 3 S+ 0 0 1 -37,-2.2 -1,-0.3 -38,-0.3 -36,-0.1 0.696 87.5 67.0 -66.7 -17.6 7.3 34.2 20.1 242 249 A E G < S+ 0 0 45 -3,-1.7 2,-0.5 -38,-0.4 -1,-0.3 0.779 85.6 87.6 -69.7 -23.7 8.4 31.8 22.8 243 250 A S <> - 0 0 19 -3,-1.4 4,-3.0 -4,-0.4 5,-0.2 -0.627 65.6-155.7 -83.0 126.7 10.4 29.9 20.3 244 251 A D H > S+ 0 0 122 -2,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.903 97.8 51.2 -59.2 -42.2 14.0 31.0 19.6 245 252 A A H 4 S+ 0 0 41 2,-0.2 4,-0.4 -118,-0.2 -1,-0.2 0.921 114.7 41.3 -65.2 -41.9 13.9 29.5 16.2 246 253 A V H >> S+ 0 0 0 -119,-0.3 3,-1.7 -6,-0.2 4,-0.9 0.937 112.6 55.4 -69.5 -44.9 10.7 31.2 15.2 247 254 A A H 3X S+ 0 0 0 -4,-3.0 4,-2.5 -7,-0.3 -1,-0.2 0.833 95.0 67.7 -55.4 -34.4 11.8 34.5 16.9 248 255 A A H 3X S+ 0 0 35 -4,-1.8 4,-1.8 1,-0.2 -1,-0.3 0.774 95.3 57.1 -56.5 -29.3 15.0 34.6 14.8 249 256 A I H <> S+ 0 0 3 -3,-1.7 4,-2.1 -4,-0.4 -1,-0.2 0.939 107.6 44.6 -71.8 -46.0 12.8 35.2 11.7 250 257 A W H X S+ 0 0 2 -4,-0.9 4,-2.3 1,-0.2 -2,-0.2 0.902 112.3 55.9 -61.7 -39.5 11.2 38.3 13.1 251 258 A L H X S+ 0 0 33 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.883 106.7 47.9 -61.0 -38.0 14.7 39.4 14.3 252 259 A R H X S+ 0 0 118 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.901 109.5 53.5 -69.1 -36.5 16.1 39.1 10.7 253 260 A H H X S+ 0 0 4 -4,-2.1 4,-2.0 2,-0.2 -141,-0.2 0.889 108.6 50.0 -64.7 -37.9 13.1 41.1 9.4 254 261 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.919 108.2 52.8 -64.1 -44.3 14.0 43.8 12.0 255 262 A D H X S+ 0 0 76 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.917 109.9 49.1 -53.3 -44.3 17.7 43.7 10.8 256 263 A D H X S+ 0 0 85 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.900 111.1 48.8 -63.6 -41.3 16.4 44.3 7.3 257 264 A A H < S+ 0 0 0 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.898 110.0 51.6 -69.2 -40.3 14.2 47.2 8.4 258 265 A L H >< S+ 0 0 20 -4,-2.9 3,-1.6 1,-0.2 4,-0.4 0.919 108.6 52.0 -57.8 -44.8 17.1 48.8 10.3 259 266 A A H >< S+ 0 0 58 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.866 101.5 61.4 -61.8 -32.5 19.2 48.5 7.1 260 267 A R T 3< S+ 0 0 103 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.576 90.8 68.6 -72.2 -8.7 16.4 50.2 5.1 261 268 A L T < 0 0 13 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.679 360.0 360.0 -77.9 -22.0 16.8 53.4 7.3 262 269 A N < 0 0 200 -3,-1.4 -3,-0.0 -4,-0.4 0, 0.0 -0.435 360.0 360.0 -83.4 360.0 20.2 54.1 5.8