==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM/PROTON TRANSPORT 18-SEP-08 3EJY . COMPND 2 MOLECULE: H(+)/CL(-) EXCHANGE TRANSPORTER CLCA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.-H.LIM,C.MILLER . 1748 6 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 67013.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1274 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 333 19.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.4 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 . 4 0.2 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 . 141 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 146 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 564 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 38 2.2 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 3 3 2 1 2 2 2 0 2 0 2 2 0 2 4 2 2 2 2 0 0 0 2 0 0 0 4 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 7 10 16 3 9 14 1 1 2 1 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 2 9 2 1 3 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 17 A R > 0 0 181 0, 0.0 4,-0.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -28.8 -48.9 14.8 54.3 2 18 A R H > + 0 0 63 2,-0.2 4,-1.6 3,-0.1 3,-0.2 0.989 360.0 27.7 -82.5 -69.3 -48.2 12.6 57.3 3 19 A R H 4 S+ 0 0 167 1,-0.2 5,-0.4 2,-0.2 -1,-0.1 0.778 112.4 75.0 -65.5 -27.2 -51.0 9.9 57.6 4 20 A Q H > S+ 0 0 131 1,-0.2 4,-0.5 3,-0.1 -1,-0.2 0.961 103.6 32.7 -40.7 -68.6 -51.4 10.3 53.9 5 21 A L H X S+ 0 0 20 -4,-0.9 4,-0.7 -3,-0.2 -2,-0.2 0.906 101.7 94.9 -62.1 -45.2 -48.2 8.3 53.1 6 22 A I H < S- 0 0 2 -4,-1.6 2,-3.3 1,-0.3 871,-0.1 -0.130 106.7 -3.6 -50.3 142.0 -48.6 6.0 56.1 7 23 A R H >4 S+ 0 0 169 1,-0.2 3,-2.5 866,-0.2 -1,-0.3 -0.048 119.8 85.0 59.9 -37.2 -50.4 2.8 55.3 8 24 A Q H 3< + 0 0 62 -2,-3.3 -2,-0.2 -4,-0.5 -1,-0.2 0.495 65.8 82.1 -70.4 -4.3 -50.8 4.3 51.7 9 25 A L T >< S+ 0 0 5 -4,-0.7 3,-0.8 864,-0.2 2,-0.4 0.759 81.9 73.0 -65.5 -28.1 -47.3 2.9 51.2 10 26 A L T < S+ 0 0 70 -3,-2.5 3,-0.1 1,-0.2 859,-0.1 -0.768 86.9 51.3 -77.7 139.2 -49.6 -0.2 50.6 11 27 A E T 3 S+ 0 0 122 1,-0.7 2,-0.5 -2,-0.4 3,-0.4 0.523 80.7 122.6 86.3 12.7 -51.1 0.6 47.2 12 28 A R S < S+ 0 0 26 -3,-0.8 -1,-0.7 1,-0.2 3,-0.1 -0.901 83.1 12.5 -91.0 137.7 -47.6 1.2 46.0 13 29 A D S S+ 0 0 46 -2,-0.5 2,-0.4 1,-0.1 -1,-0.2 0.862 92.2 134.7 60.9 39.6 -47.2 -1.2 43.0 14 30 A K + 0 0 114 -3,-0.4 -1,-0.1 -4,-0.0 184,-0.0 -0.656 29.4 177.5-118.2 75.1 -51.0 -1.9 42.9 15 31 A T - 0 0 9 -2,-0.4 2,-0.2 1,-0.1 5,-0.1 -0.645 37.6-106.0 -79.6 130.2 -51.9 -1.7 39.2 16 32 A P >> - 0 0 58 0, 0.0 4,-1.4 0, 0.0 3,-1.3 -0.375 25.6-126.6 -55.1 121.6 -55.6 -2.5 38.3 17 33 A L H 3> S+ 0 0 112 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.738 107.0 60.9 -41.0 -36.9 -55.8 -6.0 36.6 18 34 A A H 3> S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.932 104.0 47.7 -62.4 -46.7 -57.7 -4.5 33.6 19 35 A I H <> S+ 0 0 7 -3,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.899 109.5 54.5 -58.3 -43.0 -54.7 -2.3 32.7 20 36 A L H X S+ 0 0 7 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.872 109.6 45.8 -62.4 -40.7 -52.3 -5.2 33.0 21 37 A F H X S+ 0 0 132 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.906 111.6 52.5 -67.1 -43.6 -54.2 -7.4 30.6 22 38 A M H X S+ 0 0 20 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.836 104.4 56.3 -63.4 -34.9 -54.6 -4.5 28.2 23 39 A A H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.931 103.2 55.8 -60.2 -45.3 -50.8 -3.9 28.3 24 40 A A H X S+ 0 0 25 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.918 111.5 41.9 -52.4 -49.0 -50.3 -7.5 27.2 25 41 A V H X S+ 0 0 44 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.934 112.5 54.9 -68.1 -42.9 -52.5 -7.0 24.1 26 42 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.934 111.4 44.1 -50.2 -55.0 -50.9 -3.5 23.4 27 43 A G H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 -1,-0.2 0.941 111.1 54.1 -55.8 -50.6 -47.4 -5.1 23.4 28 44 A T H X S+ 0 0 39 -4,-2.2 4,-2.1 -5,-0.2 5,-0.2 0.870 113.5 42.5 -55.4 -43.1 -48.5 -8.0 21.3 29 45 A L H X S+ 0 0 67 -4,-2.6 4,-3.5 2,-0.2 5,-0.2 0.973 114.1 48.9 -66.4 -55.7 -49.9 -5.7 18.6 30 46 A V H X S+ 0 0 2 -4,-3.0 4,-2.8 -5,-0.2 -2,-0.2 0.837 112.2 54.5 -51.8 -35.0 -47.0 -3.3 18.7 31 47 A G H X S+ 0 0 0 -4,-3.1 4,-3.1 -5,-0.2 -2,-0.2 0.999 113.3 35.9 -59.6 -73.4 -44.8 -6.4 18.4 32 48 A L H X S+ 0 0 71 -4,-2.1 4,-3.4 1,-0.2 5,-0.3 0.881 117.9 55.4 -46.8 -46.8 -46.4 -7.9 15.3 33 49 A A H X S+ 0 0 22 -4,-3.5 4,-2.9 -5,-0.2 -1,-0.2 0.965 111.2 43.1 -50.9 -56.5 -46.8 -4.3 14.0 34 50 A A H X S+ 0 0 5 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.900 114.9 50.3 -59.8 -44.1 -43.1 -3.6 14.4 35 51 A V H X S+ 0 0 7 -4,-3.1 4,-2.6 2,-0.2 5,-0.2 0.949 112.3 45.9 -57.7 -53.5 -42.2 -7.0 12.9 36 52 A A H X S+ 0 0 48 -4,-3.4 4,-2.6 1,-0.2 -2,-0.2 0.935 112.9 50.6 -57.2 -49.6 -44.4 -6.5 9.9 37 53 A F H X S+ 0 0 1 -4,-2.9 4,-2.4 -5,-0.3 -1,-0.2 0.931 111.5 49.4 -49.6 -49.2 -43.1 -3.0 9.4 38 54 A D H X S+ 0 0 24 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.873 110.1 48.7 -63.9 -41.8 -39.5 -4.3 9.6 39 55 A K H X S+ 0 0 98 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.896 110.7 53.8 -61.8 -43.0 -40.1 -7.2 7.1 40 56 A G H X S+ 0 0 19 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.941 106.6 48.8 -57.0 -52.6 -41.6 -4.6 4.8 41 57 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.881 113.7 49.2 -57.0 -39.3 -38.7 -2.2 4.9 42 58 A A H X S+ 0 0 53 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.969 109.4 50.2 -62.5 -55.5 -36.4 -5.2 4.2 43 59 A W H X S+ 0 0 152 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.887 113.1 46.4 -49.6 -48.3 -38.5 -6.5 1.2 44 60 A L H X S+ 0 0 34 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.895 110.5 51.0 -66.5 -44.5 -38.5 -3.0 -0.4 45 61 A Q H X S+ 0 0 63 -4,-2.1 4,-0.9 -5,-0.2 -1,-0.2 0.898 112.0 50.8 -57.1 -39.8 -34.8 -2.5 0.1 46 62 A N H X S+ 0 0 91 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.872 104.0 55.6 -66.1 -42.5 -34.3 -5.9 -1.5 47 63 A Q H X S+ 0 0 84 -4,-2.1 4,-3.3 1,-0.2 5,-0.2 0.948 108.8 48.5 -53.4 -49.3 -36.6 -5.1 -4.6 48 64 A R H X S+ 0 0 38 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.746 110.0 53.1 -64.9 -23.9 -34.3 -2.1 -5.3 49 65 A M H < S+ 0 0 113 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.875 113.0 42.6 -74.8 -39.8 -31.4 -4.4 -4.9 50 66 A G H >X S+ 0 0 32 -4,-2.6 3,-1.1 1,-0.2 4,-1.0 0.859 111.7 54.7 -70.5 -39.3 -32.9 -6.8 -7.5 51 67 A A H 3< S+ 0 0 29 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.781 100.4 60.0 -66.1 -29.5 -33.9 -3.9 -9.7 52 68 A L T 3< S+ 0 0 17 -4,-1.0 -1,-0.3 -5,-0.2 3,-0.2 0.597 99.9 58.4 -72.5 -11.6 -30.3 -2.6 -9.7 53 69 A V T X4 S+ 0 0 105 -3,-1.1 3,-1.4 -4,-0.2 -2,-0.2 0.829 93.7 61.8 -85.8 -34.9 -29.3 -6.0 -11.3 54 70 A H T 3< S+ 0 0 170 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.476 118.5 33.2 -63.8 -0.2 -31.6 -5.6 -14.3 55 71 A T T 3 S+ 0 0 6 -3,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 -0.143 78.9 121.1-148.3 38.3 -29.4 -2.6 -15.0 56 72 A A S < S+ 0 0 64 -3,-1.4 -2,-0.1 1,-0.1 3,-0.1 0.532 75.4 51.4 -89.4 -6.6 -25.9 -3.6 -13.7 57 73 A D S S+ 0 0 140 1,-0.2 2,-1.1 -4,-0.2 -1,-0.1 0.891 97.8 63.4 -90.2 -55.5 -24.2 -3.2 -17.1 58 74 A N S > S- 0 0 85 1,-0.2 4,-1.3 2,-0.1 -1,-0.2 -0.656 70.3-168.3 -76.1 98.9 -25.2 0.3 -18.0 59 75 A Y H > S+ 0 0 135 -2,-1.1 4,-2.2 1,-0.2 3,-0.3 0.900 82.2 46.7 -61.5 -47.9 -23.6 2.3 -15.2 60 76 A P H > S+ 0 0 85 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.821 112.0 52.0 -68.1 -27.0 -25.4 5.7 -15.8 61 77 A L H > S+ 0 0 80 2,-0.2 4,-2.4 3,-0.1 -2,-0.2 0.734 108.0 54.0 -74.9 -23.7 -28.8 3.9 -16.1 62 78 A L H X S+ 0 0 10 -4,-1.3 4,-2.5 -3,-0.3 5,-0.2 0.975 104.0 51.9 -68.5 -58.2 -28.0 2.2 -12.8 63 79 A L H X S+ 0 0 43 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.750 114.4 48.6 -47.3 -27.3 -27.3 5.5 -11.0 64 80 A T H X S+ 0 0 63 -4,-0.7 4,-3.0 -5,-0.2 5,-0.4 0.956 108.8 47.3 -77.2 -58.4 -30.7 6.5 -12.4 65 81 A V H X S+ 0 0 43 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.725 113.7 51.5 -63.7 -22.8 -32.8 3.5 -11.4 66 82 A A H X S+ 0 0 4 -4,-2.5 4,-2.2 3,-0.1 5,-0.3 0.971 115.2 40.3 -69.8 -60.4 -31.3 3.7 -7.9 67 83 A F H X S+ 0 0 68 -4,-1.5 4,-3.0 -5,-0.2 3,-0.2 0.948 118.5 44.5 -51.3 -62.6 -32.2 7.4 -7.5 68 84 A L H X S+ 0 0 98 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.821 112.2 54.6 -56.2 -34.9 -35.6 7.3 -9.1 69 85 A C H X S+ 0 0 42 -4,-0.7 4,-1.3 -5,-0.4 -1,-0.2 0.911 114.6 37.5 -67.7 -45.3 -36.4 4.1 -7.2 70 86 A S H X S+ 0 0 0 -4,-2.2 4,-2.5 -3,-0.2 214,-0.2 0.823 115.9 57.9 -71.1 -33.6 -35.7 5.7 -3.8 71 87 A A H X S+ 0 0 7 -4,-3.0 4,-2.6 -5,-0.3 -2,-0.2 0.922 104.8 47.7 -61.2 -51.0 -37.2 8.9 -5.1 72 88 A V H X S+ 0 0 91 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.900 114.9 46.8 -58.9 -43.9 -40.6 7.4 -5.9 73 89 A L H X S+ 0 0 34 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.908 111.8 49.9 -66.3 -44.8 -40.7 5.7 -2.5 74 90 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 3,-0.3 0.963 111.7 49.0 -55.9 -54.4 -39.6 8.8 -0.6 75 91 A M H X S+ 0 0 52 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.900 108.1 53.7 -53.1 -47.4 -42.3 10.9 -2.4 76 92 A F H X S+ 0 0 103 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.894 113.7 43.7 -54.5 -40.9 -45.0 8.3 -1.6 77 93 A G H X S+ 0 0 0 -4,-1.9 4,-0.9 -3,-0.3 -2,-0.2 0.946 111.6 50.7 -71.1 -50.8 -44.0 8.6 2.1 78 94 A Y H X S+ 0 0 3 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.847 114.4 47.8 -51.9 -39.4 -43.8 12.4 2.3 79 95 A F H X S+ 0 0 76 -4,-2.5 4,-2.7 -5,-0.3 5,-0.4 0.989 103.3 56.7 -67.5 -61.8 -47.2 12.5 0.6 80 96 A L H X S+ 0 0 33 -4,-2.4 4,-0.5 1,-0.2 5,-0.3 0.667 115.1 44.2 -45.3 -18.0 -48.9 10.0 2.9 81 97 A V H X S+ 0 0 5 -4,-0.9 4,-2.1 -3,-0.2 -2,-0.2 0.922 113.4 44.3 -88.5 -65.4 -47.8 12.3 5.7 82 98 A R H < S+ 0 0 65 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.714 122.0 40.9 -52.7 -28.8 -48.6 15.8 4.3 83 99 A K H < S+ 0 0 128 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.920 130.6 14.4 -88.8 -51.5 -52.0 14.6 3.0 84 100 A Y H < S+ 0 0 115 -4,-0.5 -3,-0.2 -5,-0.4 -2,-0.2 0.713 134.1 11.7-107.1 -21.3 -53.5 12.3 5.8 85 101 A A >< + 0 0 0 -4,-2.1 3,-1.4 -5,-0.3 -1,-0.2 -0.514 49.1 175.0-160.1 85.5 -51.4 12.9 9.0 86 102 A P G > S+ 0 0 64 0, 0.0 3,-1.3 0, 0.0 -4,-0.1 0.793 81.2 68.7 -58.2 -31.1 -48.9 15.8 9.3 87 103 A E G 3 S+ 0 0 15 1,-0.3 8,-0.1 -6,-0.1 -5,-0.1 0.294 89.0 67.8 -74.5 9.2 -48.3 14.9 13.0 88 104 A A G < S+ 0 0 0 -3,-1.4 -1,-0.3 -7,-0.1 2,-0.1 0.111 75.0 101.8-119.3 17.3 -46.5 11.7 11.8 89 105 A G S < S+ 0 0 17 -3,-1.3 247,-0.2 248,-0.1 246,-0.1 -0.260 73.9 21.3 -81.2-175.6 -43.5 13.3 10.1 90 106 A G S S- 0 0 16 245,-0.8 248,-2.4 242,-0.2 243,-0.1 -0.051 124.1 -42.7 52.0-154.6 -40.1 13.3 11.9 91 107 A S - 0 0 2 246,-0.2 46,-0.3 42,-0.1 248,-0.2 0.984 65.4-146.2 -67.7 -56.9 -39.5 10.8 14.7 92 108 A G > + 0 0 5 246,-0.1 4,-1.9 45,-0.1 5,-0.1 0.352 69.8 109.8 100.4 -0.9 -42.9 11.2 16.3 93 109 A I H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.895 75.8 52.1 -71.6 -38.4 -41.5 10.7 19.8 94 110 A P H > S+ 0 0 9 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.871 108.8 52.9 -67.2 -31.7 -42.0 14.4 20.7 95 111 A E H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.926 111.1 45.3 -60.9 -48.0 -45.6 13.9 19.5 96 112 A I H X S+ 0 0 3 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.825 111.8 53.9 -63.6 -33.4 -46.0 10.8 21.8 97 113 A E H >X S+ 0 0 8 -4,-2.4 3,-1.0 2,-0.2 4,-0.8 0.915 107.6 48.8 -67.9 -44.9 -44.3 12.8 24.6 98 114 A G H ><>S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.3 3,-1.1 0.898 102.6 63.1 -59.6 -42.9 -46.9 15.6 24.2 99 115 A A H 3<5S+ 0 0 6 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.710 100.9 52.6 -55.6 -22.5 -49.6 13.1 24.3 100 116 A L H <<5S+ 0 0 1 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.742 110.5 46.2 -84.4 -25.9 -48.5 12.2 27.9 101 117 A E T <<5S- 0 0 28 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.373 114.6-122.1 -88.4 1.7 -48.7 15.9 28.8 102 118 A D T 5S+ 0 0 73 -4,-0.5 -3,-0.2 2,-0.2 -4,-0.1 0.909 83.8 116.5 48.6 48.6 -52.1 15.9 27.1 103 119 A Q S > + 0 0 63 -2,-0.9 4,-2.3 1,-0.2 3,-1.9 -0.397 14.5 164.0 -80.7 66.4 -55.1 10.4 16.1 108 124 A W H 3> + 0 0 57 -2,-2.3 4,-1.5 1,-0.3 -1,-0.2 0.894 66.9 64.3 -55.3 -50.2 -54.5 6.7 15.7 109 125 A W H 34 S+ 0 0 142 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.742 118.9 30.3 -41.4 -29.0 -57.1 6.2 12.9 110 126 A R H <> S+ 0 0 102 -3,-1.9 4,-2.0 2,-0.1 -2,-0.2 0.894 120.3 45.3 -93.2 -65.4 -54.8 8.5 10.9 111 127 A V H X S+ 0 0 0 -4,-2.3 4,-4.0 2,-0.2 5,-0.5 0.869 101.1 64.4 -58.8 -50.3 -51.2 8.0 12.1 112 128 A L H X S+ 0 0 27 -4,-1.5 4,-2.3 1,-0.2 5,-0.2 0.903 114.5 31.4 -37.9 -69.6 -51.1 4.1 12.2 113 129 A P H >>S+ 0 0 58 0, 0.0 4,-1.4 0, 0.0 5,-0.5 0.864 122.4 52.2 -60.3 -36.5 -51.6 3.7 8.4 114 130 A V H X5S+ 0 0 3 -4,-2.0 4,-1.8 3,-0.2 -2,-0.2 0.957 116.1 36.7 -64.5 -52.2 -49.8 7.0 7.6 115 131 A K H X>S+ 0 0 0 -4,-4.0 4,-3.6 3,-0.2 5,-0.6 0.955 117.7 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111.7 46.4 -62.7 -63.7 -36.2 25.9 9.1 263 279 A L H 3X S+ 0 0 87 -4,-2.5 4,-1.1 1,-0.3 -2,-0.2 0.823 114.4 49.7 -50.5 -37.8 -34.0 26.2 6.0 264 280 A L H 3X S+ 0 0 19 -4,-2.2 4,-0.8 1,-0.2 -1,-0.3 0.710 100.8 64.2 -77.6 -19.7 -35.8 23.2 4.4 265 281 A H H XX S+ 0 0 90 -3,-1.4 4,-3.0 -4,-0.9 3,-1.0 0.936 98.4 54.6 -66.6 -46.3 -39.2 24.7 5.1 266 282 A R H 3< S+ 0 0 198 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.941 97.0 63.8 -48.8 -57.6 -38.5 27.6 2.8 267 283 A V H 3< S+ 0 0 81 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.788 123.5 18.9 -38.9 -38.1 -37.7 25.3 -0.2 268 284 A H H X< S- 0 0 4 -3,-1.0 3,-2.4 -4,-0.8 6,-0.3 0.600 88.6-146.2-112.4 -16.3 -41.3 24.1 -0.1 269 285 A G T 3< S- 0 0 50 -4,-3.0 -3,-0.1 1,-0.3 -4,-0.1 0.260 71.6 -60.6 70.7 -12.5 -43.0 26.8 1.9 270 286 A G T 3 S+ 0 0 37 1,-0.3 2,-0.6 -5,-0.3 -1,-0.3 0.235 98.6 147.4 113.6 -4.9 -45.4 24.3 3.4 271 287 A N <> - 0 0 67 -3,-2.4 4,-2.5 1,-0.1 -1,-0.3 -0.540 49.2-142.8 -68.0 111.9 -46.6 23.5 -0.1 272 288 A I H > S+ 0 0 58 -2,-0.6 4,-0.8 1,-0.2 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3,-2.0 -222,-0.2 4,-1.9 0.954 114.4 43.5 -71.7 -56.7 -28.1 6.7 -5.2 289 305 A L H 3X S+ 0 0 38 -4,-3.4 4,-2.3 1,-0.3 7,-0.3 0.825 102.3 70.6 -58.2 -30.2 -25.6 7.3 -2.4 290 306 A G H 3< S+ 0 0 33 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.425 110.5 32.2 -68.2 2.7 -26.5 3.9 -1.0 291 307 A F H <4 S+ 0 0 75 -3,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.648 119.8 44.3-118.4 -57.9 -24.7 2.5 -4.0 292 308 A V H < S+ 0 0 68 -4,-1.9 -3,-0.2 1,-0.3 -2,-0.2 0.785 142.0 4.2 -64.8 -28.9 -21.8 4.9 -4.8 293 309 A A >< - 0 0 16 -4,-2.3 3,-1.1 -5,-0.3 -1,-0.3 -0.717 67.3-175.3-151.9 99.6 -21.0 5.0 -1.1 294 310 A P G > S+ 0 0 88 0, 0.0 3,-1.3 0, 0.0 9,-0.1 0.824 81.8 64.6 -67.2 -26.1 -23.2 2.7 1.1 295 311 A A G 3 S+ 0 0 13 1,-0.3 -5,-0.1 7,-0.1 8,-0.1 0.586 96.7 57.2 -73.7 -10.2 -21.7 4.0 4.3 296 312 A T G < S+ 0 0 1 -3,-1.1 2,-0.3 -7,-0.3 -1,-0.3 0.498 110.6 43.0 -93.4 -8.2 -23.1 7.5 3.7 297 313 A S S < S+ 0 0 6 -3,-1.3 3,-0.2 -4,-0.3 -170,-0.2 -0.893 85.0 39.9-138.1 162.9 -26.7 6.4 3.5 298 314 A G S S- 0 0 9 -172,-0.8 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1,-0.3 -2,-0.2 0.889 106.5 53.6 -54.7 -44.1 -15.7 -1.1 15.8 309 325 A A T 3<5S- 0 0 67 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.624 115.0-123.1 -66.2 -11.8 -13.4 -3.7 14.3 310 326 A G T < 5 + 0 0 30 -3,-1.6 -3,-0.2 -5,-0.2 -2,-0.1 0.760 66.7 140.8 74.1 25.6 -11.4 -0.7 13.0 311 327 A N < + 0 0 119 -5,-1.8 2,-0.3 -6,-0.2 -4,-0.2 0.614 51.0 83.5 -73.1 -15.2 -11.6 -1.8 9.3 312 328 A F S S- 0 0 31 -6,-0.5 2,-0.1 -5,-0.2 0, 0.0 -0.725 82.0-125.0 -88.7 140.4 -12.1 1.8 8.3 313 329 A S > - 0 0 76 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.479 29.7-107.1 -74.1 155.2 -9.0 4.0 7.8 314 330 A M H > S+ 0 0 81 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.822 122.9 52.6 -51.0 -34.3 -9.0 7.3 9.7 315 331 A G H > S+ 0 0 49 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.978 107.1 48.2 -65.1 -57.6 -9.7 9.0 6.4 316 332 A M H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.766 111.6 53.8 -56.7 -29.1 -12.7 6.9 5.5 317 333 A L H X S+ 0 0 1 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.987 107.0 47.4 -67.1 -59.9 -14.0 7.6 9.1 318 334 A V H X S+ 0 0 86 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.869 115.9 48.0 -48.0 -42.7 -13.8 11.4 8.9 319 335 A F H X S+ 0 0 100 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.962 110.2 49.3 -62.2 -56.1 -15.5 11.2 5.5 320 336 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.878 111.7 52.4 -52.9 -39.8 -18.3 8.8 6.7 321 337 A F H X S+ 0 0 41 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.983 112.6 41.1 -60.6 -60.7 -18.8 11.2 9.6 322 338 A V H X S+ 0 0 84 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.951 117.1 49.1 -49.0 -58.0 -19.2 14.4 7.5 323 339 A A H X S+ 0 0 14 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.847 113.9 46.3 -51.9 -40.0 -21.3 12.6 4.9 324 340 A R H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.824 106.8 55.6 -81.1 -33.3 -23.6 11.1 7.5 325 341 A V H X S+ 0 0 13 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.962 114.6 43.7 -54.0 -51.4 -24.0 14.4 9.4 326 342 A I H X S+ 0 0 90 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.970 116.9 42.3 -56.8 -61.2 -25.2 15.8 6.1 327 343 A T H X S+ 0 0 5 -4,-2.9 4,-1.5 1,-0.2 -199,-0.3 0.785 112.4 55.6 -63.8 -28.6 -27.5 12.9 5.0 328 344 A T H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.930 110.5 44.6 -68.4 -46.1 -28.9 12.5 8.5 329 345 A L H X>S+ 0 0 14 -4,-2.0 4,-1.3 -5,-0.2 5,-0.6 0.961 111.3 52.9 -59.3 -55.6 -30.0 16.2 8.6 330 346 A L H <5S+ 0 0 47 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.830 116.0 40.4 -50.3 -38.7 -31.5 16.1 5.1 331 347 A C H <>S+ 0 0 0 -4,-1.5 5,-0.7 -5,-0.2 -1,-0.2 0.911 125.2 31.2 -81.2 -43.1 -33.6 13.1 6.0 332 348 A F H ><5S+ 0 0 10 -4,-2.5 3,-1.0 -204,-0.2 -242,-0.2 0.979 115.6 52.1 -80.9 -61.0 -34.8 13.9 9.5 333 349 A S T 3<5S+ 0 0 7 -4,-1.3 2,-0.2 -5,-0.3 -3,-0.2 0.739 101.0 69.0 -47.6 -27.1 -35.0 17.8 9.5 334 350 A S T 3 S+ 0 0 2 -211,-0.2 4,-1.1 2,-0.1 -1,-0.1 0.381 79.6 91.1-114.4 -1.5 -33.1 9.9 14.4 341 357 A F H >> S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 3,-0.7 0.960 86.5 43.8 -58.3 -62.9 -32.0 7.4 17.0 342 358 A A H >> S+ 0 0 2 1,-0.3 4,-2.1 2,-0.2 3,-0.5 0.928 112.3 52.6 -55.4 -53.6 -30.3 4.8 14.8 343 359 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.795 109.2 52.9 -49.3 -30.2 -28.5 7.4 12.7 344 360 A M H X S+ 0 0 62 -4,-2.0 4,-1.2 1,-0.2 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