==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 26-JUL-06 2HTL . COMPND 2 MOLECULE: H(+)/CL(-) EXCHANGE TRANSPORTER CLCA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.ACCARDI,S.LOBET,C.WILLIAMS,C.MILLER,R.DUTZLER . 1749 6 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 67125.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1282 73.3 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 . 345 19.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 143 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 574 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 2.1 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 2 4 2 1 5 2 0 0 2 0 2 0 2 2 2 4 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 . 4 8 13 5 11 11 6 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 8 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 0 143 0, 0.0 4,-1.3 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -16.0 -50.2 -13.5 -55.0 2 18 A R H > + 0 0 66 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.892 360.0 49.6 -67.7 -44.0 -48.3 -10.9 -57.0 3 19 A R H > S+ 0 0 159 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.784 109.3 54.2 -64.7 -29.4 -51.5 -9.0 -57.6 4 20 A Q H > S+ 0 0 117 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.854 106.0 52.0 -70.1 -38.1 -52.1 -9.3 -53.9 5 21 A L H X S+ 0 0 2 -4,-1.3 4,-3.7 2,-0.2 5,-0.3 0.925 106.8 51.1 -64.9 -46.9 -48.7 -7.7 -53.2 6 22 A I H X S+ 0 0 19 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.854 112.1 49.7 -57.0 -36.8 -49.4 -4.7 -55.5 7 23 A R H < S+ 0 0 165 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.907 115.8 42.1 -65.1 -44.4 -52.6 -4.3 -53.5 8 24 A Q H >< S+ 0 0 54 -4,-2.2 3,-1.4 2,-0.2 -2,-0.2 0.907 110.4 54.0 -72.8 -47.0 -50.7 -4.5 -50.2 9 25 A L H >< S+ 0 0 9 -4,-3.7 3,-1.8 1,-0.3 -3,-0.2 0.938 107.4 51.7 -52.1 -52.2 -47.7 -2.3 -51.1 10 26 A L T 3< S+ 0 0 66 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.641 115.7 44.5 -59.8 -13.2 -50.1 0.5 -52.2 11 27 A E T < S+ 0 0 71 -3,-1.4 3,-0.3 -4,-0.2 -1,-0.3 0.135 85.5 129.1-119.5 17.6 -51.8 0.0 -48.7 12 28 A R < + 0 0 21 -3,-1.8 3,-0.1 1,-0.2 -3,-0.1 -0.394 64.4 21.2 -75.4 151.0 -48.6 -0.2 -46.5 13 29 A D S S+ 0 0 40 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.936 79.2 138.1 58.0 52.7 -48.1 1.9 -43.3 14 30 A K + 0 0 113 -3,-0.3 -1,-0.2 852,-0.0 -3,-0.0 -0.791 25.3 176.9-129.6 87.9 -51.8 2.7 -42.7 15 31 A T - 0 0 7 -2,-0.4 2,-0.1 -3,-0.1 5,-0.0 -0.768 39.3-104.2 -90.6 133.3 -52.6 2.4 -39.0 16 32 A P >> - 0 0 55 0, 0.0 3,-2.1 0, 0.0 4,-1.6 -0.403 27.4-124.7 -58.8 128.2 -56.2 3.3 -37.9 17 33 A L H 3> S+ 0 0 113 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.770 110.6 58.9 -43.4 -38.0 -56.2 6.7 -36.2 18 34 A A H 3> S+ 0 0 47 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.836 104.1 49.6 -64.9 -35.1 -57.8 5.2 -33.1 19 35 A I H <> S+ 0 0 15 -3,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.935 114.2 45.8 -67.9 -45.6 -54.9 2.7 -32.7 20 36 A L H X S+ 0 0 10 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.944 113.3 48.1 -58.7 -53.3 -52.3 5.6 -33.0 21 37 A F H X S+ 0 0 132 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.852 113.3 48.4 -58.8 -37.1 -54.3 7.9 -30.6 22 38 A M H X S+ 0 0 25 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.798 105.1 58.0 -75.8 -29.0 -54.6 5.1 -28.1 23 39 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.899 105.2 52.8 -62.1 -41.2 -50.9 4.3 -28.3 24 40 A A H X S+ 0 0 24 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.899 109.8 46.1 -58.4 -45.2 -50.2 7.9 -27.3 25 41 A V H X S+ 0 0 48 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.796 110.6 55.4 -72.9 -26.9 -52.5 7.5 -24.2 26 42 A V H X S+ 0 0 0 -4,-1.7 4,-3.2 2,-0.2 -2,-0.2 0.969 109.3 45.5 -63.1 -57.7 -50.8 4.2 -23.4 27 43 A G H X S+ 0 0 0 -4,-2.5 4,-3.5 1,-0.2 5,-0.2 0.943 110.1 54.2 -49.4 -57.1 -47.3 5.8 -23.4 28 44 A T H X S+ 0 0 36 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.874 114.9 40.3 -46.9 -49.6 -48.4 8.7 -21.3 29 45 A L H X S+ 0 0 66 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.947 114.2 51.4 -67.0 -50.9 -49.8 6.4 -18.6 30 46 A V H X S+ 0 0 1 -4,-3.2 4,-3.2 2,-0.2 -2,-0.2 0.930 113.8 47.1 -51.1 -50.3 -46.9 3.9 -18.8 31 47 A G H X S+ 0 0 0 -4,-3.5 4,-3.5 2,-0.2 5,-0.3 0.962 111.2 47.2 -55.5 -61.7 -44.5 6.8 -18.4 32 48 A L H X S+ 0 0 80 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.851 116.1 48.9 -49.6 -37.8 -46.2 8.5 -15.5 33 49 A A H X S+ 0 0 22 -4,-2.6 4,-3.2 2,-0.2 -2,-0.2 0.941 111.6 46.0 -69.1 -50.7 -46.4 5.1 -13.9 34 50 A A H X S+ 0 0 4 -4,-3.2 4,-3.4 1,-0.2 -2,-0.2 0.932 113.7 50.5 -57.2 -47.5 -42.8 4.2 -14.4 35 51 A V H X S+ 0 0 5 -4,-3.5 4,-2.2 2,-0.2 -1,-0.2 0.908 112.5 47.4 -54.1 -46.7 -41.9 7.7 -13.1 36 52 A A H X S+ 0 0 45 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.936 113.7 46.4 -62.3 -48.6 -44.1 7.0 -10.1 37 53 A F H X S+ 0 0 2 -4,-3.2 4,-2.9 2,-0.2 5,-0.2 0.942 110.7 53.5 -57.5 -52.7 -42.6 3.6 -9.5 38 54 A D H X S+ 0 0 24 -4,-3.4 4,-1.9 1,-0.2 -1,-0.2 0.882 112.5 44.5 -44.3 -50.1 -39.1 5.0 -9.9 39 55 A K H X S+ 0 0 81 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.843 110.7 54.3 -68.6 -38.2 -39.8 7.6 -7.3 40 56 A G H X S+ 0 0 17 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.946 109.6 46.7 -60.2 -51.0 -41.4 5.1 -5.0 41 57 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.910 113.4 50.3 -56.2 -46.1 -38.4 2.9 -5.0 42 58 A A H X S+ 0 0 44 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.941 108.6 51.2 -57.4 -51.8 -36.2 5.9 -4.4 43 59 A W H X S+ 0 0 152 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.864 112.6 46.6 -54.7 -41.5 -38.2 7.1 -1.5 44 60 A L H X S+ 0 0 22 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.912 109.6 50.7 -72.4 -45.2 -38.0 3.6 0.2 45 61 A Q H X S+ 0 0 68 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.844 113.8 50.4 -58.5 -30.8 -34.3 3.2 -0.4 46 62 A N H X S+ 0 0 98 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.902 107.8 48.5 -74.1 -45.2 -34.1 6.6 1.2 47 63 A Q H X S+ 0 0 82 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.923 111.3 52.4 -58.9 -45.0 -36.2 5.9 4.3 48 64 A R H X S+ 0 0 32 -4,-2.6 4,-1.3 1,-0.3 -1,-0.2 0.835 108.4 50.0 -59.2 -37.5 -34.2 2.7 4.8 49 65 A M H X S+ 0 0 98 -4,-1.2 4,-0.5 -5,-0.2 -1,-0.3 0.805 107.4 56.3 -68.5 -31.0 -31.0 4.9 4.7 50 66 A G H X S+ 0 0 43 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.722 103.1 53.7 -73.3 -25.3 -32.7 7.2 7.2 51 67 A A H X S+ 0 0 35 -4,-1.3 4,-1.1 2,-0.2 3,-0.3 0.896 102.5 56.1 -73.5 -43.8 -33.2 4.3 9.7 52 68 A L H < S+ 0 0 12 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.682 106.2 53.1 -64.0 -18.7 -29.5 3.3 9.6 53 69 A V H >< S+ 0 0 110 -4,-0.5 3,-1.3 1,-0.2 -1,-0.2 0.826 103.1 55.9 -82.0 -35.0 -28.7 6.9 10.6 54 70 A H H 3< S+ 0 0 162 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.684 120.1 32.3 -68.2 -20.5 -31.1 6.7 13.6 55 71 A T T 3< S+ 0 0 17 -4,-1.1 -1,-0.3 2,-0.1 -2,-0.1 -0.228 78.8 136.2-126.4 42.7 -29.1 3.6 14.8 56 72 A A < + 0 0 66 -3,-1.3 -2,-0.1 6,-0.1 -1,-0.1 0.598 68.7 50.9 -70.1 -14.9 -25.7 4.8 13.5 57 73 A D S S+ 0 0 124 1,-0.1 5,-0.2 -4,-0.1 -2,-0.1 0.767 88.5 64.8 -82.1-107.8 -24.0 3.7 16.7 58 74 A N S > S- 0 0 86 1,-0.1 4,-1.7 3,-0.1 3,-0.3 0.122 70.9-155.9 -20.7 92.2 -24.7 0.1 17.9 59 75 A Y H > S+ 0 0 138 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.880 88.2 45.3 -52.1 -53.1 -23.1 -1.8 15.0 60 76 A P H > S+ 0 0 84 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.861 111.2 54.8 -61.2 -35.0 -25.1 -5.1 15.4 61 77 A L H > S+ 0 0 73 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.800 108.5 49.2 -67.3 -31.2 -28.4 -3.0 15.8 62 78 A L H X S+ 0 0 11 -4,-1.7 4,-2.3 -3,-0.4 5,-0.2 0.954 110.5 48.5 -67.0 -55.3 -27.6 -1.3 12.5 63 79 A L H X S+ 0 0 45 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.789 113.0 52.4 -56.4 -30.2 -26.9 -4.6 10.6 64 80 A T H X S+ 0 0 64 -4,-1.6 4,-3.0 -5,-0.2 3,-0.2 0.968 109.5 44.1 -66.9 -59.1 -30.2 -5.7 12.2 65 81 A V H X S+ 0 0 31 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.731 110.4 57.2 -66.9 -23.2 -32.4 -2.8 11.0 66 82 A A H X S+ 0 0 1 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.920 113.4 40.3 -66.7 -45.7 -30.8 -3.0 7.5 67 83 A F H X S+ 0 0 71 -4,-1.3 4,-3.2 -3,-0.2 -2,-0.2 0.957 115.5 49.5 -63.4 -55.1 -31.9 -6.7 7.3 68 84 A L H X S+ 0 0 93 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.829 110.1 50.3 -60.4 -38.5 -35.3 -6.2 8.9 69 85 A C H X S+ 0 0 34 -4,-1.5 4,-2.2 -5,-0.2 -1,-0.2 0.946 117.8 38.8 -62.7 -50.2 -36.3 -3.2 6.7 70 86 A S H X S+ 0 0 0 -4,-1.4 4,-1.4 -5,-0.2 214,-0.3 0.796 116.5 54.2 -73.8 -30.5 -35.3 -5.1 3.5 71 87 A A H X S+ 0 0 6 -4,-3.2 4,-3.2 212,-0.3 3,-0.4 0.989 111.0 43.2 -59.2 -63.0 -36.8 -8.3 4.9 72 88 A V H X S+ 0 0 86 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.883 116.3 47.1 -53.8 -47.3 -40.2 -6.8 5.7 73 89 A L H X S+ 0 0 38 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.806 114.0 48.3 -67.2 -32.5 -40.4 -4.9 2.3 74 90 A A H >X S+ 0 0 0 -4,-1.4 4,-2.7 -3,-0.4 3,-0.6 0.947 111.6 48.9 -69.9 -51.4 -39.3 -8.1 0.4 75 91 A M H 3X S+ 0 0 52 -4,-3.2 4,-2.9 1,-0.3 5,-0.2 0.934 108.5 54.4 -50.7 -51.0 -41.8 -10.2 2.3 76 92 A F H 3X S+ 0 0 101 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.3 0.832 112.0 45.7 -51.6 -35.9 -44.5 -7.6 1.5 77 93 A G H < + 0 0 0 -4,-1.9 3,-1.1 -5,-0.3 -1,-0.2 -0.469 47.6 175.0-168.4 88.3 -51.0 -12.3 -9.0 86 102 A P G > S+ 0 0 61 0, 0.0 3,-1.1 0, 0.0 -4,-0.1 0.695 82.9 67.4 -70.6 -19.7 -48.5 -15.2 -9.4 87 103 A E G 3 S+ 0 0 13 1,-0.2 8,-0.2 -6,-0.1 -5,-0.1 0.705 92.8 61.1 -70.4 -20.0 -48.0 -14.2 -13.1 88 104 A A G < S+ 0 0 0 -3,-1.1 -1,-0.2 -7,-0.2 2,-0.1 0.140 81.8 107.6 -97.3 16.5 -46.4 -10.9 -12.0 89 105 A G S < S+ 0 0 17 -3,-1.1 247,-0.3 -8,-0.1 246,-0.1 -0.403 76.6 5.8 -80.8 170.7 -43.5 -12.6 -10.1 90 106 A G S S- 0 0 10 245,-2.0 248,-2.3 241,-0.2 243,-0.1 -0.245 126.8 -24.1 57.8-136.2 -40.0 -12.6 -11.5 91 107 A S - 0 0 4 246,-0.2 247,-0.4 241,-0.1 46,-0.2 0.995 61.3-148.2 -72.2 -76.6 -39.4 -10.4 -14.6 92 108 A G S > S+ 0 0 3 45,-0.1 4,-2.0 44,-0.1 5,-0.2 0.005 77.0 94.1 121.4 -25.0 -42.8 -10.1 -16.4 93 109 A I H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.862 81.0 57.0 -64.4 -37.0 -41.3 -9.9 -19.8 94 110 A P H > S+ 0 0 14 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.980 109.1 46.4 -56.8 -52.9 -41.7 -13.6 -20.3 95 111 A E H > S+ 0 0 23 1,-0.2 4,-2.9 -8,-0.2 -2,-0.2 0.873 111.3 49.7 -53.7 -48.1 -45.5 -13.3 -19.7 96 112 A I H X S+ 0 0 3 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.827 108.7 53.7 -66.0 -32.8 -45.9 -10.2 -22.0 97 113 A E H X S+ 0 0 8 -4,-2.1 4,-1.0 -3,-0.3 3,-0.2 0.919 111.1 46.5 -62.2 -44.7 -44.1 -12.1 -24.8 98 114 A G H ><>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 3,-1.0 0.925 106.8 57.8 -59.3 -46.3 -46.6 -14.9 -24.2 99 115 A A H ><5S+ 0 0 9 -4,-2.9 3,-0.8 1,-0.3 -1,-0.2 0.800 103.6 52.9 -56.9 -31.6 -49.5 -12.4 -24.2 100 116 A L H 3<5S+ 0 0 1 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.765 107.6 51.0 -73.9 -27.6 -48.4 -11.3 -27.7 101 117 A E T <<5S- 0 0 10 -3,-1.0 -1,-0.2 -4,-1.0 -2,-0.2 0.299 115.4-120.1 -86.9 7.3 -48.6 -14.9 -28.8 102 118 A D T < 5S+ 0 0 70 -3,-0.8 -3,-0.2 -4,-0.2 -2,-0.1 0.610 87.7 113.5 60.0 16.0 -52.1 -15.1 -27.3 103 119 A Q < + 0 0 50 -5,-2.1 -4,-0.2 -6,-0.2 -5,-0.1 0.476 69.6 46.4 -93.8 -5.5 -50.7 -17.8 -25.1 104 120 A R S S- 0 0 30 -6,-0.6 2,-0.2 -8,-0.1 -2,-0.1 -0.975 79.5-117.3-138.8 150.6 -51.0 -15.9 -21.8 105 121 A P - 0 0 60 0, 0.0 2,-0.7 0, 0.0 -6,-0.1 -0.618 12.7-144.4 -87.2 147.5 -53.6 -13.7 -20.1 106 122 A V - 0 0 17 -2,-0.2 2,-2.3 -7,-0.1 3,-0.2 -0.658 20.9-178.8-109.2 73.7 -53.1 -10.0 -19.3 107 123 A R >> + 0 0 63 -2,-0.7 4,-2.7 1,-0.2 3,-1.5 -0.431 10.5 165.7 -79.8 75.0 -54.9 -9.7 -16.0 108 124 A W H 3> + 0 0 56 -2,-2.3 4,-1.3 1,-0.3 -1,-0.2 0.854 67.4 65.0 -63.5 -41.5 -54.3 -6.0 -15.5 109 125 A W H 34 S+ 0 0 141 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.742 118.6 30.5 -50.6 -23.8 -56.8 -5.5 -12.7 110 126 A R H <> S+ 0 0 97 -3,-1.5 4,-1.7 2,-0.1 -2,-0.2 0.869 121.3 44.0 -98.6 -61.4 -54.5 -7.9 -10.8 111 127 A V H X>S+ 0 0 0 -4,-2.7 4,-3.7 2,-0.2 5,-0.5 0.917 101.9 65.0 -58.3 -54.1 -51.0 -7.3 -12.0 112 128 A L H X5S+ 0 0 30 -4,-1.3 4,-2.2 1,-0.3 5,-0.2 0.874 113.9 31.3 -37.1 -65.1 -50.9 -3.5 -12.2 113 129 A P H >5S+ 0 0 55 0, 0.0 4,-1.7 0, 0.0 5,-0.3 0.802 122.7 51.4 -69.0 -27.4 -51.3 -3.0 -8.4 114 130 A V H X5S+ 0 0 6 -4,-1.7 4,-2.0 -3,-0.2 5,-0.2 0.959 115.4 38.0 -72.5 -51.7 -49.4 -6.3 -7.6 115 131 A K H X5S+ 0 0 0 -4,-3.7 4,-4.0 3,-0.2 5,-0.3 0.957 119.7 49.6 -62.8 -52.0 -46.3 -5.6 -9.7 116 132 A F H XS+ 0 0 0 -4,-4.0 4,-3.3 1,-0.2 5,-0.8 0.926 106.1 63.0 -59.2 -48.1 -41.8 -4.2 -7.0 120 136 A L H X5S+ 0 0 36 -4,-2.6 4,-1.0 -5,-0.3 -1,-0.2 0.841 110.1 42.5 -41.0 -39.9 -41.9 -1.1 -4.7 121 137 A G H X5S+ 0 0 1 -4,-0.9 4,-0.5 -3,-0.5 -2,-0.2 0.915 118.3 40.2 -78.3 -47.8 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0.757 116.9 41.5 -44.1 -34.1 -31.0 -15.4 -5.4 331 347 A C H <>S+ 0 0 0 -4,-1.2 5,-1.2 -5,-0.2 -1,-0.2 0.861 124.5 31.2 -85.1 -41.1 -33.3 -12.4 -6.2 332 348 A F H ><5S+ 0 0 12 -4,-2.1 3,-2.2 -3,-0.3 -3,-0.2 0.931 118.7 50.3 -85.0 -52.1 -34.5 -13.2 -9.7 333 349 A S T 3<5S+ 0 0 6 -4,-2.3 -3,-0.2 -5,-0.4 -69,-0.1 0.710 101.2 66.0 -61.9 -21.2 -34.5 -17.0 -9.6 334 350 A S T 3 S+ 0 0 2 -211,-0.2 4,-1.2 2,-0.1 5,-0.1 0.390 80.5 91.6-112.4 -7.1 -32.9 -9.0 -14.7 341 357 A F H > S+ 0 0 4 2,-0.2 4,-0.9 1,-0.2 3,-0.3 0.916 86.8 43.4 -54.6 -52.9 -32.1 -6.6 -17.5 342 358 A A H >> S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 3,-1.7 0.963 110.9 49.5 -64.2 -58.1 -30.3 -4.0 -15.2 343 359 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.713 107.5 60.8 -57.4 -16.3 -28.2 -6.3 -13.0 344 360 A M H 3X S+ 0 0 2 -4,-1.2 4,-1.3 -3,-0.3 37,-0.3 0.782 102.6 48.5 -76.5 -31.8 -27.1 -7.9 -16.3 345 361 A L H <> + 0 0 44 -4,-2.1 3,-1.7 -5,-0.2 5,-0.6 -0.609 60.6 159.1-130.6 73.4 -0.7 -4.4 -24.9 364 380 A P G > 5S+ 0 0 32 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.723 75.0 67.5 -70.2 -17.2 0.7 -1.0 -23.8 365 381 A Q G 3 5S+ 0 0 31 1,-0.2 627,-0.6 -3,-0.1 -2,-0.0 0.566 94.3 57.4 -75.2 -12.9 1.3 -0.3 -27.5 366 382 A Y G < 5S- 0 0 18 -3,-1.7 -1,-0.2 -6,-0.2 -6,-0.1 0.643 99.3-139.1 -88.3 -19.5 -2.5 -0.2 -28.0 367 383 A H T < 5 - 0 0 12 -3,-0.6 -2,-0.1 -4,-0.5 -7,-0.1 0.834 35.6-169.6 61.6 39.9 -2.9 2.6 -25.4 368 384 A L < - 0 0 17 -5,-0.6 2,-0.4 -8,-0.2 -1,-0.1 -0.021 24.7-154.3 -62.3 155.6 -6.0 0.9 -24.1 369 385 A E >> - 0 0 51 1,-0.1 3,-3.0 -140,-0.0 4,-0.7 -0.941 14.7-143.6-131.4 110.7 -8.5 2.2 -21.6 370 386 A A H >> S+ 0 0 13 -2,-0.4 4,-1.9 1,-0.3 3,-0.9 0.794 95.3 72.6 -41.6 -36.6 -10.2 -0.6 -19.7 371 387 A G H 3> S+ 0 0 1 -63,-0.3 4,-1.2 1,-0.3 -1,-0.3 0.629 89.4 57.6 -58.4 -19.6 -13.4 1.6 -19.8 372 388 A T H <> S+ 0 0 3 -3,-3.0 4,-1.6 2,-0.2 -1,-0.3 0.857 109.3 45.3 -75.6 -38.1 -13.9 0.9 -23.5 373 389 A F H S+ 0 0 0 -3,-0.4 4,-0.8 2,-0.2 3,-0.4 0.871 82.5 50.2 -75.7 -39.8 -22.8 -8.2 -23.9 381 397 A L H X>S+ 0 0 3 -4,-0.8 4,-2.7 -3,-0.3 5,-0.7 0.849 109.2 55.8 -65.9 -32.0 -24.5 -10.3 -21.2 382 398 A L H 45S+ 0 0 0 -4,-0.3 6,-1.8 1,-0.2 -1,-0.2 0.751 109.5 45.9 -63.8 -28.6 -27.8 -9.1 -22.7 383 399 A A H <5S+ 0 0 0 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.556 119.8 39.6 -92.4 -9.0 -26.6 -10.5 -26.1 384 400 A A H <5S+ 0 0 2 -4,-0.8 -2,-0.2 -3,-0.4 -3,-0.2 0.695 127.9 26.7-112.5 -30.6 -25.5 -13.8 -24.6 385 401 A S T <5S+ 0 0 0 -4,-2.7 43,-2.5 -5,-0.2 -3,-0.2 0.847 136.9 27.3 -95.7 -52.3 -28.2 -14.6 -22.0 386 402 A I S + 0 0 1 -6,-1.8 4,-2.2 1,-0.1 -1,-0.1 -0.696 24.0 158.8-118.8 77.3 -31.1 -9.6 -28.0 389 405 A P H > S+ 0 0 7 0, 0.0 4,-3.7 0, 0.0 5,-0.4 0.947 71.0 54.2 -66.2 -50.5 -27.8 -7.9 -29.2 390 406 A L H > S+ 0 0 2 1,-0.2 4,-1.2 2,-0.2 -207,-0.1 0.793 114.6 43.9 -56.2 -30.3 -29.4 -5.1 -31.4 391 407 A T H > S+ 0 0 0 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.884 115.7 47.4 -76.7 -44.0 -31.4 -4.1 -28.3 392 408 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.879 113.3 47.0 -66.3 -40.8 -28.4 -4.4 -25.9 393 409 A I H X S+ 0 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173.7-164.7 90.5 -29.4 -4.3 -67.4 530 102 B P G > S+ 0 0 65 0, 0.0 3,-1.1 0, 0.0 -4,-0.1 0.682 82.8 68.9 -71.7 -17.8 -32.5 -2.0 -67.3 531 103 B E G 3 S+ 0 0 12 1,-0.2 8,-0.2 -6,-0.1 -5,-0.1 0.721 92.4 59.6 -69.3 -23.2 -33.3 -3.4 -63.8 532 104 B A G < S+ 0 0 0 -3,-1.0 -1,-0.2 -7,-0.2 2,-0.1 0.153 82.3 109.9 -95.2 17.0 -30.2 -1.6 -62.5 533 105 B G S < S+ 0 0 16 -3,-1.1 247,-0.3 -8,-0.1 246,-0.1 -0.392 76.3 3.4 -79.6 168.6 -31.5 1.9 -63.5 534 106 B G S S- 0 0 10 245,-2.0 248,-2.2 241,-0.1 243,-0.1 -0.218 127.1 -22.8 56.8-138.7 -32.6 4.4 -60.9 535 107 B S - 0 0 3 246,-0.2 247,-0.4 241,-0.1 46,-0.2 0.996 61.3-149.6 -67.4 -79.1 -32.1 3.4 -57.3 536 108 B G S > S+ 0 0 3 45,-0.1 4,-2.0 245,-0.1 5,-0.2 -0.012 76.4 95.2 121.3 -24.2 -32.0 -0.5 -57.2 537 109 B I H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.878 80.7 56.2 -62.6 -38.1 -33.5 -0.7 -53.7 538 110 B P H > S+ 0 0 10 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.962 109.0 47.7 -59.5 -48.2 -37.0 -1.2 -55.3 539 111 B E H > S+ 0 0 25 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.896 110.4 49.3 -55.9 -48.6 -35.7 -4.2 -57.2 540 112 B I H X S+ 0 0 3 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.829 108.6 53.8 -68.5 -31.3 -34.0 -5.8 -54.2 541 113 B E H X S+ 0 0 10 -4,-2.1 4,-1.0 2,-0.2 3,-0.4 0.927 111.1 46.5 -62.6 -45.4 -37.1 -5.4 -52.1 542 114 B G H ><>S+ 0 0 0 -4,-2.1 5,-1.9 1,-0.2 3,-1.1 0.932 106.4 59.3 -57.6 -46.4 -38.9 -7.2 -54.9 543 115 B A H ><5S+ 0 0 4 -4,-2.9 3,-0.8 1,-0.3 -1,-0.2 0.796 103.6 50.9 -54.7 -32.8 -36.1 -9.8 -54.9 544 116 B L H 3<5S+ 0 0 0 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.749 107.2 53.2 -77.9 -25.2 -36.9 -10.6 -51.3 545 117 B E T <<5S- 0 0 10 -3,-1.1 -1,-0.2 -4,-1.0 -2,-0.2 0.333 114.0-122.2 -83.5 3.4 -40.6 -11.1 -52.2 546 118 B D T < 5S+ 0 0 61 -3,-0.8 -3,-0.2 -4,-0.2 -2,-0.1 0.601 86.8 113.4 59.5 15.5 -39.4 -13.5 -54.9 547 119 B Q S > + 0 0 72 -2,-0.8 4,-2.7 1,-0.2 3,-1.4 -0.439 11.9 164.1 -79.5 73.8 -29.3 -11.0 -62.4 552 124 B W H 3> + 0 0 45 -2,-2.3 4,-1.3 1,-0.3 -1,-0.2 0.864 66.9 65.7 -63.3 -42.3 -25.9 -10.4 -60.8 553 125 B W H 34 S+ 0 0 140 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.756 118.3 29.5 -47.2 -26.9 -23.8 -11.5 -63.8 554 126 B R H <> S+ 0 0 107 -3,-1.4 4,-1.5 2,-0.1 -2,-0.2 0.876 122.2 43.6 -99.7 -56.6 -25.4 -8.4 -65.5 555 127 B V H X>S+ 0 0 0 -4,-2.7 4,-3.8 2,-0.2 5,-0.5 0.917 101.2 66.5 -63.5 -50.4 -26.2 -5.8 -62.7 556 128 B L H X5S+ 0 0 29 -4,-1.3 4,-2.2 1,-0.3 5,-0.2 0.891 114.6 29.3 -36.3 -70.3 -22.9 -6.0 -60.8 557 129 B P H >5S+ 0 0 56 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.778 122.6 53.6 -68.0 -23.3 -20.7 -4.6 -63.6 558 130 B V H X5S+ 0 0 3 -4,-1.5 4,-1.7 2,-0.2 5,-0.2 0.958 115.4 36.6 -72.0 -51.6 -23.7 -2.5 -65.0 559 131 B K H X5S+ 0 0 0 -4,-3.8 4,-4.3 3,-0.2 5,-0.4 0.959 119.3 51.8 -63.7 -52.9 -24.5 -0.7 -61.7 560 132 B F H XS+ 0 0 0 -4,-4.3 4,-3.4 1,-0.2 5,-0.7 0.928 106.3 62.3 -58.2 -48.9 -22.9 4.5 -61.2 564 136 B L H X5S+ 0 0 25 -4,-2.7 4,-0.9 -5,-0.4 -1,-0.2 0.834 110.0 43.6 -42.3 -37.7 -19.2 5.3 -61.6 565 137 B G H X5S+ 0 0 1 -4,-0.7 4,-0.5 -3,-0.4 -2,-0.2 0.924 119.2 37.3 -78.0 -49.9 -20.4 7.4 -64.6 566 138 B T H <>S+ 0 0 0 -4,-2.2 5,-1.8 2,-0.2 -2,-0.2 0.917 125.9 38.8 -70.5 -44.8 -23.4 9.1 -63.2 567 139 B L H ><5S+ 0 0 5 -4,-3.4 3,-2.8 1,-0.2 4,-0.3 0.963 115.0 52.0 -67.3 -55.6 -22.0 9.7 -59.7 568 140 B G H 3< S+ 0 0 47 207,-0.2 4,-2.9 42,-0.1 5,-0.2 0.519 98.3 79.9-106.2 -17.0 -24.1 5.9 -53.3 576 148 B E H > S+ 0 0 2 2,-0.2 4,-3.9 3,-0.2 5,-0.4 0.946 88.4 53.8 -55.5 -57.8 -26.8 3.8 -51.5 577 149 B G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.942 115.2 39.2 -40.1 -71.3 -28.6 2.9 -54.6 578 150 B P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.936 121.4 43.4 -43.8 -60.1 -25.5 1.4 -56.3 579 151 B T H X S+ 0 0 5 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.815 113.8 49.8 -62.7 -36.2 -24.1 -0.2 -53.1 580 152 B V H X S+ 0 0 0 -4,-3.9 4,-2.3 -5,-0.2 -1,-0.2 0.954 117.5 39.1 -68.8 -50.6 -27.4 -1.6 -51.8 581 153 B Q H X S+ 0 0 1 -4,-2.3 4,-2.7 -5,-0.4 3,-0.4 0.984 118.5 47.3 -60.6 -60.3 -28.3 -3.3 -55.2 582 154 B I H X S+ 0 0 10 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.2 0.858 111.2 56.1 -47.7 -38.2 -24.7 -4.4 -55.8 583 155 B G H X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.3 27,-0.3 0.925 109.0 43.6 -61.2 -49.7 -24.8 -5.6 -52.3 584 156 B G H X S+ 0 0 0 -4,-2.3 4,-2.0 -3,-0.4 -2,-0.2 0.942 113.9 49.7 -61.4 -51.4 -27.8 -7.8 -52.8 585 157 B N H X S+ 0 0 4 -4,-2.7 4,-3.4 1,-0.2 -2,-0.2 0.884 107.8 55.2 -54.0 -42.7 -26.5 -9.1 -56.1 586 158 B I H X S+ 0 0 13 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.894 109.0 47.8 -55.6 -42.3 -23.2 -9.9 -54.4 587 159 B G H X S+ 0 0 0 -4,-1.7 4,-0.7 2,-0.2 -2,-0.2 0.802 113.1 48.2 -70.0 -31.3 -25.2 -11.9 -51.9 588 160 B R H X S+ 0 0 61 -4,-2.0 4,-2.5 2,-0.2 3,-0.3 0.911 107.6 55.7 -69.3 -47.0 -27.0 -13.6 -54.7 589 161 B M H X S+ 0 0 41 -4,-3.4 4,-3.1 1,-0.3 -2,-0.2 0.892 110.5 43.6 -53.8 -47.1 -23.7 -14.3 -56.5 590 162 B V H X S+ 0 0 3 -4,-2.0 4,-0.8 2,-0.2 -1,-0.3 0.704 110.5 56.9 -75.3 -21.3 -22.2 -16.2 -53.5 591 163 B L H <>S+ 0 0 9 -4,-0.7 5,-2.2 -3,-0.3 -2,-0.2 0.903 116.3 36.1 -68.1 -45.1 -25.6 -18.0 -53.1 592 164 B D H ><5S+ 0 0 52 -4,-2.5 3,-2.4 3,-0.2 -2,-0.2 0.984 114.7 53.0 -70.8 -61.4 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119.2 33.0 -78.3 -42.2 -31.9 -17.0 -50.4 603 175 B H H X S+ 0 0 4 -4,-3.0 4,-2.4 2,-0.1 -2,-0.2 0.908 119.4 51.1 -79.3 -45.1 -33.5 -14.2 -48.4 604 176 B T H >X S+ 0 0 0 -4,-3.1 4,-3.0 36,-0.4 3,-0.5 0.980 112.9 42.8 -55.0 -64.9 -30.7 -13.8 -45.7 605 177 B L H 3X S+ 0 0 1 -4,-1.1 4,-0.6 -5,-0.3 -1,-0.2 0.693 116.2 51.8 -60.3 -18.8 -27.8 -13.6 -48.1 606 178 B L H 3> S+ 0 0 2 -4,-0.4 4,-1.0 -19,-0.2 -1,-0.3 0.840 115.0 41.6 -80.7 -36.9 -29.9 -11.3 -50.2 607 179 B A H XX S+ 0 0 0 -4,-2.4 4,-2.5 -3,-0.5 3,-0.6 0.957 112.4 49.9 -74.2 -53.6 -30.7 -9.1 -47.2 608 180 B T H 3X S+ 0 0 0 -4,-3.0 4,-3.4 1,-0.3 5,-0.3 0.843 108.4 57.0 -58.5 -33.9 -27.3 -8.9 -45.6 609 181 B G H 3X S+ 0 0 0 -4,-0.6 4,-0.6 -5,-0.4 -25,-0.3 0.905 110.0 43.1 -59.3 -43.5 -25.9 -8.0 -49.0 610 182 B A H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 3,-0.9 0.860 115.9 60.7 -66.1 -38.2 -26.1 0.7 -47.0 615 187 B A H >X>S+ 0 0 0 -4,-3.0 5,-1.4 1,-0.3 3,-0.8 0.932 107.0 40.4 -57.6 -55.3 -23.6 0.2 -44.1 616 188 B A H 3<5S+ 0 0 5 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.448 110.5 66.0 -75.5 4.6 -20.4 0.8 -46.1 617 189 B A H <45S+ 0 0 7 -3,-0.9 -1,-0.2 3,-0.1 -2,-0.2 0.756 120.9 12.6 -92.8 -29.7 -22.4 3.6 -47.9 618 190 B F H <<5S- 0 0 4 -4,-1.1 -2,-0.2 -3,-0.8 48,-0.2 0.159 100.0-112.0-131.3 14.1 -22.8 5.8 -44.8 619 191 B N T <5S+ 0 0 35 -4,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.828 79.1 135.2 46.7 37.7 -20.4 4.2 -42.4 620 192 B A >< + 0 0 0 -5,-1.4 4,-1.7 -6,-0.4 -1,-0.2 -0.733 30.6 172.7-121.8 80.6 -23.6 3.3 -40.6 621 193 B P H > S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 3,-0.4 0.939 82.8 45.9 -50.5 -56.3 -23.8 -0.3 -39.3 622 194 B L H > S+ 0 0 2 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.904 108.2 55.2 -56.6 -47.1 -27.0 0.1 -37.3 623 195 B A H > S+ 0 0 0 215,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.842 108.0 52.6 -57.4 -35.8 -28.9 2.0 -40.1 624 196 B G H X S+ 0 0 0 -4,-1.7 4,-1.7 -3,-0.4 3,-0.2 0.988 113.8 39.1 -59.2 -63.9 -28.0 -1.0 -42.4 625 197 B I H X S+ 0 0 1 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.897 118.2 50.5 -55.6 -43.3 -29.4 -3.7 -40.1 626 198 B L H < S+ 0 0 0 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.844 105.4 56.3 -67.1 -33.0 -32.4 -1.4 -39.2 627 199 B F H >X>S+ 0 0 1 -4,-1.9 4,-2.1 -5,-0.3 5,-2.0 0.890 105.7 50.7 -65.5 -42.2 -33.2 -0.7 -42.8 628 200 B I H 3<>S+ 0 0 0 -4,-1.7 5,-2.6 1,-0.2 3,-0.2 0.967 113.6 44.6 -55.6 -54.1 -33.6 -4.4 -43.6 629 201 B I T 3<5S+ 0 0 28 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.097 122.9 35.2 -87.5 25.6 -35.9 -5.0 -40.7 630 202 B E T <45S- 0 0 12 -3,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.420 138.4 -0.5-142.5 -24.3 -38.1 -1.9 -41.3 631 203 B E T <5S+ 0 0 1 -4,-2.1 -3,-0.2 -3,-0.2 4,-0.1 0.574 120.4 56.2-134.9 -55.6 -38.2 -1.6 -45.0 632 204 B M T > - 0 0 9 -2,-0.6 4,-1.7 -42,-0.2 3,-0.5 -0.787 7.8-163.6 -87.6 107.7 -31.6 -14.3 -39.9 643 215 B I H 3> S+ 0 0 41 -2,-0.8 4,-2.5 1,-0.2 3,-0.3 0.924 88.8 59.3 -54.6 -49.6 -30.9 -11.0 -38.1 644 216 B K H 3> S+ 0 0 5 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.830 108.7 44.6 -47.1 -41.5 -27.7 -12.5 -36.6 645 217 B A H <> S+ 0 0 0 -3,-0.5 4,-1.8 2,-0.2 -1,-0.3 0.817 106.8 58.3 -77.0 -32.6 -26.3 -13.1 -40.1 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